Pre-melting hcp to bcc Transition in Beryllium

OpenAIRE

Lu, Y.; Sun, T.; Zhang, Ping.; Zhang, P.; Zhang, D. -B.; Wentzcovitch, R. M.

2017-01-01

Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

Model of fracture of metal melts and the strength of melts under dynamic conditions

International Nuclear Information System (INIS)

Mayer, P. N.; Mayer, A. E.

2015-01-01

The development of a continuum model of deformation and fracture of melts is needed for the description of the behavior of metals in extreme states, in particular, under high-current electron and ultrashort laser irradiation. The model proposed includes the equations of mechanics of a two-phase continuum and the equations of the kinetics of phase transitions. The change (exchange) of the volumes of dispersed and carrier phases and of the number of dispersed particles is described, and the energy and mass exchange between the phases due to phase transitions is taken into account. Molecular dynamic (MD) calculations are carried out with the use of the LAMMPS program. The continuum model is verified by MD, computational, and experimental data. The strength of aluminum, copper, and nickel is determined at various temperatures and strain rates. It is shown that an increase in the strain rate leads to an increase in the strength of a liquid metal, while an increase in temperature leads to a decrease in its strength

Model of fracture of metal melts and the strength of melts under dynamic conditions

Energy Technology Data Exchange (ETDEWEB)

Mayer, P. N., E-mail: polina.nik@mail.ru; Mayer, A. E., E-mail: mayer@csu.ru [Chelyabinsk State University (Russian Federation)

2015-07-15

The development of a continuum model of deformation and fracture of melts is needed for the description of the behavior of metals in extreme states, in particular, under high-current electron and ultrashort laser irradiation. The model proposed includes the equations of mechanics of a two-phase continuum and the equations of the kinetics of phase transitions. The change (exchange) of the volumes of dispersed and carrier phases and of the number of dispersed particles is described, and the energy and mass exchange between the phases due to phase transitions is taken into account. Molecular dynamic (MD) calculations are carried out with the use of the LAMMPS program. The continuum model is verified by MD, computational, and experimental data. The strength of aluminum, copper, and nickel is determined at various temperatures and strain rates. It is shown that an increase in the strain rate leads to an increase in the strength of a liquid metal, while an increase in temperature leads to a decrease in its strength.

Simulation of melt spreading in consideration of phase transitions

Energy Technology Data Exchange (ETDEWEB)

Spengler, C. [Gesellschaft fuer Anlagen- und Reaktorsicherheit (GRS) mbH, Koeln (Germany)

2002-07-01

The analysis of melt spreading and relocation phenomena in the containment of LWR power plants in case of hypothetical severe accidents leading to core melting is an important issue for reactor safety investigations. For the simulation of melt spreading the code LAVA has been developed on the basis of a method from the related subject of volcanology by adding more detailed models for heat transfer phenomena and flow rheology. The development is supported by basic analysis of the spreading of gravity currents as well as experimental investigations of the rheology of solidifying melts. These exhibit strong non-Newtonian effects in case of a high content of solids in the freezing melt. The basic model assumption in LAVA is the ideal Bingham plastic approach to the non-Newtonian, shear-thinning characteristic of solidifying melts. For the recalculation of melt spreading experiments, the temperature-dependent material properties for solidifying melt mixtures have been calculated using correlations from the literature. With the parameters and correlations for the rheological material properties approached by results from literature, it was possible to recalculate successfully recent spreading experiments with simulant materials and prototypic reactor core materials. An application to the behaviour of core melt in the reactor cavity assumed a borderline case for the issue of spreading. This limit is represented by melt conditions (large solid fraction, low volume flux), under which the melt is hardly spreadable. Due to the persistent volume flux the reactor cavity is completely, but inhomogeneously filled with melt. The degree of inhomogeneity is rather small, so it is concluded, that for the long-term coolability of a melt pool in narrow cavities the spreading of melt will probably have only negligible influence. (orig.)

Rapid transitions between defect configurations in a block copolymer melt.

Science.gov (United States)

Tsarkova, Larisa; Knoll, Armin; Magerle, Robert

2006-07-01

With in situ scanning force microscopy, we image the ordering of cylindrical microdomains in a thin film of a diblock copolymer melt. Tracking the evolution of individual defects reveals elementary steps of defect motion via interfacial undulations and repetitive transitions between distinct defect configurations on a time scale of tens of seconds. The velocity of these transitions suggests a cooperative movement of clusters of chains. The activation energy for the opening/closing of a connection between two cylinders is estimated.

On high-pressure melting of tantalum

Science.gov (United States)

Luo, Sheng-Nian; Swift, Damian C.

2007-01-01

The issues related to high-pressure melting of Ta are discussed within the context of diamond-anvil cell (DAC) and shock wave experiments, theoretical calculations and common melting models. The discrepancies between the extrapolations of the DAC melting curve and the melting point inferred from shock wave experiments, cannot be reconciled either by superheating or solid-solid phase transition. The failure to reproduce low-pressure DAC melting curve by melting models such as dislocation-mediated melting and the Lindemann law, and molecular dynamics and quantum mechanics-based calculations, undermines their predictions at moderate and high pressures. Despite claims to the contrary, the melting curve of Ta (as well as Mo and W) remains inconclusive at high pressures.

Dislocations and melting in two and three dimensions

DEFF Research Database (Denmark)

Tallon, Jeffery L.

1980-01-01

included, the model system may jump discontinuously from a volume below the dislocation transition to a volume above the disclination transition so that both transitions are virtual and are hidden in the first-order discontinuity. A reinterpretation of the recent molecular-dynamics simulation of two-dimensional......Comments are presented on the recent theories of two-dimensional melting which envisage melting as proceeding via two second-order transitions comprising dislocation dipole dissociation followed by disclination dipole dissociation. It is suggested that if the configurational entropy is properly...... melting of Frenkel and McTague, reveals that such is the case for a Lennard-Jones system. There may be no fundamental difference between two-and three-dimensional melting. ©1980 The American Physical Society...

Melting along the Hugoniot and solid phase transition for Sn via sound velocity measurements

Science.gov (United States)

Song, Ping; Cai, Ling-cang; Tao, Tian-jiong; Yuan, Shuai; Chen, Hong; Huang, Jin; Zhao, Xin-wen; Wang, Xue-jun

2016-11-01

It is very important to determine the phase boundaries for materials with complex crystalline phase structures to construct their corresponding multi-phase equation of state. By measuring the sound velocity of Sn with different porosities, different shock-induced melting pressures along the solid-liquid phase boundary could be obtained. The incipient shock-induced melting of porous Sn samples with two different porosities occurred at a pressure of about 49.1 GPa for a porosity of 1.01 and 45.6 GPa for a porosity of 1.02, based on measurements of the sound velocity. The incipient shock-induced melting pressure of solid Sn was revised to 58.1 GPa using supplemental measurements of the sound velocity. Trivially, pores in Sn decreased the shock-induced melting pressure. Based on the measured longitudinal sound velocity data, a refined solid phase transition and the Hugoniot temperature-pressure curve's trend are discussed. No bcc phase transition occurs along the Hugoniot for porous Sn; further investigation is required to understand the implications of this finding.

Studies of melting, crystallization, and commensurate-incommensurate transitions in two dimensions: Third year progress report

International Nuclear Information System (INIS)

Mockler, R.C.; O'Sullivan, W.J.

1988-09-01

The free expansion melting of a 2D suspension of micron-size spheres contained between parallel silica plates has been analyzed in some detail. The translational and orientational correlation functions conform with KTHNY theory prediction of a two-step melting process. The visual observations and study of the defect structures and evolution strongly suggest the process is first order with two-phase coexistence taking the place of the intermediate (hexatic) phase. On the other hand, melting of a 2.88 μm monolayer on water is in accord with KTHNY including the observation of dislocation-pair unbinding at the first transition. However, there is no evidence of the dissociation of dislocation into free disclinations at the second transition (the defect structure is much too complex here). Dynamic light scattering experiments on a 2D crystal on the surface of water yield viscous damping factors, force constants and the Lame coefficients. 2D computer simulation, in collaboration with Noel Clark's group, reveal cooperative motion along chains of particles (''snakes''). They appear to be the principal cause of diffusion near the melting point and important in the melting process. 16 refs

The effect of correlated and point defects on the vortex lattice melting transition in single crystal YBa2Cu3O7-δ

International Nuclear Information System (INIS)

Kwok, W.K.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Fendrich, J. Giapintzakis, J.

1993-08-01

The vortex melting transition T m in several untwinned and twinned crystals measured resistively in fields up to 8 Tesla. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first order phase transition. The anisotropy of twin boundary pinning and its reduction of the ''kink'' in ρ(T) associated with the first order melting transition is discussed in samples with very dilute twin boundaries. We also report on direct suppression of melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects

Simple solvable energy-landscape model that shows a thermodynamic phase transition and a glass transition.

Science.gov (United States)

Naumis, Gerardo G

2012-06-01

When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy-landscape models. Here, a model is provided in which two key ingredients are considered in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit for slow cooling, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable states.

The effect of correlated and point defects on the vortex lattice melting transition in single-crystal YBa2Cu3O7-δ

International Nuclear Information System (INIS)

Kwok, W.K.; Fendrich, J.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Giapintzakis, J.

1994-01-01

The vortex melting transition T m in several untwinned and twinned crystals is measured resistively in fields up to 8T. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first-order phase transition. The anisotropy of twin boundary pinning and its reduction of the 'kink' in ρ(T) associated with the first-order melting transition is discussed in samples with very dilute twin boundaries. We also report on the direct suppression of the the melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects. (orig.)

A vapour bubble collapse model to describe the fragmentation of low-melting materials

International Nuclear Information System (INIS)

Benz, R.; Schober, P.

1977-11-01

By means of a model, the fragmentation of a hot melt of metal in consequence of collapsing vapour-bubbles is investigated. In particular the paper deals with the development of the physical model-ideas for calculation of the temperature of contact that adjusts between the temperature of the melt and the coolant, of the waiting-time until bubble-nucleation occurs and of the maximal obtainable vapour-bubble-radius in dependence of the coolant-temperature. After that follows the description of the computing-program belonging to this model and of the results of an extensive parameter-study. The study examined the influence of the temperature of melt and coolant, the melted mass, the nucleation-site-density, the average maximum bubble-radius, the duration of film-breakdown and the coefficient of heat-transition. The calculation of the process of fragmentation turns out to be according to expectation, whereas the duration of this process seems to be somewhat too long. The dependence of the surface-enlargement on the subcooling of the water-bath and the initial temperature of the melt is not yet reproduced satisfactorily by the model. The reasons for this are the temperature-increase of the water-bath as well as the fact that the coupling of heat-flux-density and nucleation-site-density are not taken into consideration. Further improvement of the model is necessary and may improve the results in the sense of the experimental observations. (orig.) [de

Multiscale Models of Melting Arctic Sea Ice

Science.gov (United States)

2014-09-30

Sea ice reflectance or albedo , a key parameter in climate modeling, is primarily determined by melt pond and ice floe configurations. Ice - albedo ...determine their albedo - a key parameter in climate modeling. Here we explore the possibility of a conceptual sea ice climate model passing through a...bifurcation points. Ising model for melt ponds on Arctic sea ice Y. Ma, I. Sudakov, and K. M. Golden Abstract: The albedo of melting

Melt migration modeling in partially molten upper mantle

Science.gov (United States)

Ghods, Abdolreza

The objective of this thesis is to investigate the importance of melt migration in shaping major characteristics of geological features associated with the partial melting of the upper mantle, such as sea-floor spreading, continental flood basalts and rifting. The partial melting produces permeable partially molten rocks and a buoyant low viscosity melt. Melt migrates through the partially molten rocks, and transfers mass and heat. Due to its much faster velocity and appreciable buoyancy, melt migration has the potential to modify dynamics of the upwelling partially molten plumes. I develop a 2-D, two-phase flow model and apply it to investigate effects of melt migration on the dynamics and melt generation of upwelling mantle plumes and focusing of melt migration beneath mid-ocean ridges. Melt migration changes distribution of the melt-retention buoyancy force and therefore affects the dynamics of the upwelling plume. This is investigated by modeling a plume with a constant initial melt of 10% where no further melting is considered. Melt migration polarizes melt-retention buoyancy force into high and low melt fraction regions at the top and bottom portions of the plume and therefore results in formation of a more slender and faster upwelling plume. Allowing the plume to melt as it ascends through the upper mantle also produces a slender and faster plume. It is shown that melt produced by decompressional melting of the plume migrates to the upper horizons of the plume, increases the upwelling velocity and thus, the volume of melt generated by the plume. Melt migration produces a plume which lacks the mushroom shape observed for the plume models without melt migration. Melt migration forms a high melt fraction layer beneath the sloping base of the impermeable oceanic lithosphere. Using realistic conditions of melting, freezing and melt extraction, I examine whether the high melt fraction layer is able to focus melt from a wide partial melting zone to a narrow region

Influence of vacancies on the melting transition of hard disks in two dimensions

NARCIS (Netherlands)

Bates, M.A.; Frenkel, D.

1999-01-01

We present the results of molecular dynamics simulations of two-dimensional (2D) hard disk systems in the vicinity of melting. The simulations are used to calculate the elastic constants, which can be used to estimate the location of the Kosterlitz-Thouless dislocation unbinding transition.

A 2D double-porosity model for melting and melt migration beneath mid-oceanic ridges

Science.gov (United States)

Liu, B.; Liang, Y.; Parmentier, E.

2017-12-01

Several lines of evidence suggest that the melting and melt extraction region of the MORB mantle is heterogeneous consisting of an interconnected network of high permeability dunite channels in a low porosity harzburgite or lherzolite matrix. In principle, one can include channel formation into the tectonic-scale geodynamic models by solving conservation equations for a chemically reactive and viscously deformable porous medium. Such an approach eventually runs into computational limitations such as resolving fractal-like channels that have a spectrum of width. To better understand first order features of melting and melt-rock interaction beneath MOR, we have formulated a 2D double porosity model in which we treat the triangular melting region as two overlapping continua occupied by the low-porosity matrix and interconnected high-porosity channels. We use melt productivity derived from a thermodynamic model and melt suction rate to close our problem. We use a high-order accurate numerical method to solve the conservation equations in 2D for porosity, solid and melt velocities and concentrations of chemical tracers in the melting region. We carry out numerical simulations to systematically study effects of matrix-to-channel melt suction and spatially distributed channels on the distributions of porosity and trace element and isotopic ratios in the melting region. For near fractional melting with 10 vol% channel in the melting region, the flow field of the matrix melt follows closely to that of the solid because the small porosity (exchange between the melt and the solid. The smearing effect can be approximated by dispersion coefficient. For slowly diffusing trace elements (e.g., LREE and HFSE), the melt migration induced dispersion can be as effective as thermal diffusion. Therefore, sub-kilometer scale heterogeneities of Nd and Hf isotopes are significantly damped or homogenized in the melting region.

Modeling the summertime evolution of sea-ice melt ponds

DEFF Research Database (Denmark)

Lüthje, Mikael; Feltham, D.L.; Taylor, P.D.

2006-01-01

We present a mathematical model describing the summer melting of sea ice. We simulate the evolution of melt ponds and determine area coverage and total surface ablation. The model predictions are tested for sensitivity to the melt rate of unponded ice, enhanced melt rate beneath the melt ponds...

Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

DEFF Research Database (Denmark)

Hervig, K.W.; Wu, Z.; Dai, P.

1997-01-01

Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... comparison with experiment, quasielastic spectra calculated from the MD simulations were analyzed using the same models and fitting algorithms as for the neutron spectra. This combination of techniques gives a microscopic picture of the melting process in these two monolayers which is consistent with earlier...... neutron diffraction experiments. Butane melts abruptly to a liquid phase where the molecules in the trans conformation translationally diffuse while rotating about their center of mass. In the case of the hexane monolayer, the MD simulations show that the appearance of quasielastic scattering below T...

Thermophysical Properties and Structural Transition of Hg(0.8)Cd(0.2)Te Melt

Science.gov (United States)

Li, C.; Scripa, R. N.; Ban, H.; Lin, B.; Su, C.; Lehoczky, S. L.

2004-01-01

Thermophysical properties, namely, density, viscosity, and electrical conductivity of Hg(sub o.8)Cd(sub 0.2)Te melt were measured as a function of temperature. A pycnometric method was used to measure the melt density in the temperature range of 1072 to 1122 K. The viscosity and electrical conductivity were simultaneously determined using a transient torque method from 1068 to 1132 K. The density result from this study is within 0.3% of the published data. However, the current viscosity result is approximately 30% lower than the existing data. The electrical conductivity of Hg(sub o.8)Cd(sub 0.2)Te melt as a function of temperature, which is not available in the literature, is also determined. The analysis of the temperature dependent electrical conductivity and the relationship between the kinematic viscosity and density indicated that the structure of the melt appeared to be homogeneous when the temperature was above 1090 K. A structural transition occurred in the Hg(sub 0.8)Cd(0.2)Te melt as the temperature was decreased from 1090 K to the liquidus temperature.

Stochastic dynamics of melt ponds and sea ice-albedo climate feedback

Science.gov (United States)

Sudakov, Ivan

Evolution of melt ponds on the Arctic sea surface is a complicated stochastic process. We suggest a low-order model with ice-albedo feedback which describes stochastic dynamics of melt ponds geometrical characteristics. The model is a stochastic dynamical system model of energy balance in the climate system. We describe the equilibria in this model. We conclude the transition in fractal dimension of melt ponds affects the shape of the sea ice albedo curve.

Image analysis of speckle patterns as a probe of melting transitions in laser-heated diamond anvil cell experiments.

Science.gov (United States)

Salem, Ran; Matityahu, Shlomi; Melchior, Aviva; Nikolaevsky, Mark; Noked, Ori; Sterer, Eran

2015-09-01

The precision of melting curve measurements using laser-heated diamond anvil cell (LHDAC) is largely limited by the correct and reliable determination of the onset of melting. We present a novel image analysis of speckle interference patterns in the LHDAC as a way to define quantitative measures which enable an objective determination of the melting transition. Combined with our low-temperature customized IR pyrometer, designed for measurements down to 500 K, our setup allows studying the melting curve of materials with low melting temperatures, with relatively high precision. As an application, the melting curve of Te was measured up to 35 GPa. The results are found to be in good agreement with previous data obtained at pressures up to 10 GPa.

On the glass transition of the one-component metallic melts

Czech Academy of Sciences Publication Activity Database

Fedorchenko, Alexander I.

2017-01-01

Roč. 475, October (2017), s. 362-367 ISSN 0022-0248 Institutional support: RVO:61388998 Keywords : equilibrium and non-equilibrium solidification * criterion of the phase transition scenario * one-component metal melts Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 1.751, year: 2016 http://ac.els-cdn.com/S0022024817304281/1-s2.0-S0022024817304281-main.pdf?_tid=a12ba97e-873b-11e7-b6be-00000aacb35e&acdnat=1503407763_5cdbcdb15d504baf5f8dfb94886b3100

Predicting the enthalpies of melting and vaporization for pure components

Science.gov (United States)

Esina, Z. N.; Korchuganova, M. R.

2014-12-01

A mathematical model of the melting and vaporization enthalpies of organic components based on the theory of thermodynamic similarity is proposed. In this empirical model, the phase transition enthalpy for the homological series of n-alkanes, carboxylic acids, n-alcohols, glycols, and glycol ethers is presented as a function of the molecular mass, the number of carbon atoms in a molecule, and the normal transition temperature. The model also uses a critical or triple point temperature. It is shown that the results from predicting the melting and vaporization enthalpies enable the calculation of binary phase diagrams.

Multiscale approach to equilibrating model polymer melts

DEFF Research Database (Denmark)

Svaneborg, Carsten; Ali Karimi-Varzaneh, Hossein; Hojdis, Nils

2016-01-01

We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed...

Transition metal ions in silicate melts. I. Manganese in sodium silicate melts

Energy Technology Data Exchange (ETDEWEB)

Nelson, C; White, W B

1980-01-01

Optical absorption spectra obtained on glasses quenched from sodium silicate melts show Mn/sup 3 +/ to be the dominant species for melts heated in air and Mn/sup 2 +/ to be the dominant species for melts heated at P/sub O/sub 2// = 10/sup -17/ bar. The absorption spectrum of Mn/sup 3 +/ consists of an intense band at 20,000 cm/sup -1/ with a 15,000 cm/sup -1/ satellite possibly arising from the Jahn-Teller effect. The independence of the spectrum from melt composition and the high band intensity is offered as evidence for a distinct Mn/sup 3 +/ complex in the melt. The spectrum of Mn/sup 2 +/ is weak and many expected bands are not observed. A two-band luminescence spectrum from Mn/sup 2 +/ has been tentatively interpreted as due to Mn/sup 2 +/ in interstitial sites in the network and Mn/sup 2 +/ coordiated by non-bridging oxygens.

Modelling of the controlled melt flow in a glass melting space – Its melting performance and heat losses

Czech Academy of Sciences Publication Activity Database

Jebavá, Marcela; Dyrčíková, Petra; Němec, Lubomír

2015-01-01

Roč. 430, DEC 15 (2015), s. 52-63 ISSN 0022-3093 Institutional support: RVO:67985891 Keywords : glass melt flow * mathematical modelling * energy distribution * space utilizatios * melting performance Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass Impact factor: 1.825, year: 2015

Raman spectroscopy study of the crystal - melt phase transition of lanthanum, cerium and neodymium trichlorides

International Nuclear Information System (INIS)

Zakir'yanova, I.D.; Salyulev, A.B.

2007-01-01

Systematic structural studies of crystalline (over a wide temperature range) and molten LaCl 3 , CeCl 3 , and NdCl 3 salts (near the crystal-melt phase transition temperature) are conducted employing Raman spectroscopy. A change in the trend of temperature dependences of characteristic frequencies is revealed in the pre-melting region of the compounds. This is attributed to an increase in the number of crystal defects due to weakening of a part of Ln-Cl bonds and decreasing of coordination number of chloride anions in the vicinity of rare earth cation [ru

Melting and related precursor cooperative phenomena in chemically bonded assemblies

International Nuclear Information System (INIS)

March, N.H.

2004-09-01

A number of experimental studies of condensed matter assemblies with different types of chemical bonding will provide the focus of this work. Condensed compounds X(CH 3 ) 4 , with X = C,Si or Ge, are the first of such assemblies; two phase boundaries in the pressure temperature plane being studied: melting and a solid phase boundary heralding orientational disordering of molecules still however on a lattice. Secondly, directionally bonded d-electron transition metals such as Ni, Pd and Nb will be treated. Here, melting is the main focus, but the precursor transition is now the separation of a high-temperature ductile solid from a lower temperature mechanically brittle phase. A dislocation-mediated model of these transitions is discussed, leading into the third area of covalently bonded solids graphite and silicon. Here topological defect models again provide the focus; both dislocations and rotation-dislocations now being invoked. Some qualitative suggestions are made to interpret the melting curve of graphite subjected to high pressure. (author)

Olivine/melt transition metal partitioning, melt composition, and melt structure—Melt polymerization and Qn-speciation in alkaline earth silicate systems

Science.gov (United States)

Mysen, Bjorn O.

2008-10-01

The two most abundant network-modifying cations in magmatic liquids are Ca 2+ and Mg 2+. To evaluate the influence of melt structure on exchange of Ca 2+ and Mg 2+ with other geochemically important divalent cations ( m-cations) between coexisting minerals and melts, high-temperature (1470-1650 °C), ambient-pressure (0.1 MPa) forsterite/melt partitioning experiments were carried out in the system Mg 2SiO 4-CaMgSi 2O 6-SiO 2 with ⩽1 wt% m-cations (Mn 2+, Co 2+, and Ni 2+) substituting for Ca 2+ and Mg 2+. The bulk melt NBO/Si-range ( NBO/Si: nonbridging oxygen per silicon) of melt in equilibrium with forsterite was between 1.89 and 2.74. In this NBO/Si-range, the NBO/Si(Ca) (fraction of nonbridging oxygens, NBO, that form bonds with Ca 2+, Ca 2+- NBO) is linearly related to NBO/Si, whereas fraction of Mg 2+- NBO bonds is essentially independent of NBO/Si. For individual m-cations, rate of change of KD( m-Mg) with NBO/Si(Ca) for the exchange equilibrium, mmelt + Mg olivine ⇌ molivine + Mg melt, is linear. KD( m-Mg) decreases as an exponential function of increasing ionic potential, Z/ r2 ( Z: formal electrical charge, r: ionic radius—here calculated with oxygen in sixfold coordination around the divalent cations) of the m-cation. The enthalpy change of the exchange equilibrium, Δ H, decreases linearly with increasing Z/ r2 [Δ H = 261(9)-81(3)· Z/ r2 (Å -2)]. From existing information on (Ca,Mg)O-SiO 2 melt structure at ambient pressure, these relationships are understood by considering the exchange of divalent cations that form bonds with nonbridging oxygen in individual Qn-species in the melts. The negative ∂ KD( m-Mg) /∂( Z/ r2) and ∂(Δ H)/∂( Z/ r2) is because increasing Z/ r2 is because the cations forming bonds with nonbridging oxygen in increasingly depolymerized Qn-species where steric hindrance is decreasingly important. In other words, principles of ionic size/site mismatch commonly observed for trace and minor elements in crystals, also

Models and correlations of the DEBRIS Late-Phase Melt Progression Model

International Nuclear Information System (INIS)

Schmidt, R.C.; Gasser, R.D.

1997-09-01

The DEBRIS Late Phase Melt Progression Model is an assembly of models, embodied in a computer code, which is designed to treat late-phase melt progression in dry rubble (or debris) regions that can form as a consequence of a severe core uncover accident in a commercial light water nuclear reactor. The approach is fully two-dimensional, and incorporates a porous medium modeling framework together with conservation and constitutive relationships to simulate the time-dependent evolution of such regions as various physical processes act upon the materials. The objective of the code is to accurately model these processes so that the late-phase melt progression that would occur in different hypothetical severe nuclear reactor accidents can be better understood and characterized. In this report the models and correlations incorporated and used within the current version of DEBRIS are described. These include the global conservation equations solved, heat transfer and fission heating models, melting and refreezing models (including material interactions), liquid and solid relocation models, gas flow and pressure field models, and the temperature and compositionally dependent material properties employed. The specific models described here have been used in the experiment design analysis of the Phebus FPT-4 debris-bed fission-product release experiment. An earlier DEBRIS code version was used to analyze the MP-1 and MP-2 late-phase melt progression experiments conducted at Sandia National Laboratories for the US Nuclear Regulatory Commission

Modeling of beam-target interaction during pulsed electron beam ablation of graphite: Case of melting

Energy Technology Data Exchange (ETDEWEB)

Ali, Muddassir, E-mail: mx1_ali@laurentian.ca; Henda, Redhouane

2017-02-28

Highlights: • Modeling of ablation stage induced during pulsed electron beam ablation (PEBA). • Thermal model to describe heating, melting and vaporization of a graphite target. • Model results show good accordance with reported data in the literature. - Abstract: A one-dimensional thermal model based on a two-stage heat conduction equation is employed to investigate the ablation of graphite target during nanosecond pulsed electron beam ablation. This comprehensive model accounts for the complex physical phenomena comprised of target heating, melting and vaporization upon irradiation with a polyenergetic electron beam. Melting and vaporization effects induced during ablation are taken into account by introducing moving phase boundaries. Phase transition induced during ablation is considered through the temperature dependent thermodynamic properties of graphite. The effect of electron beam efficiency, power density, and accelerating voltage on ablation is analyzed. For an electron beam operating at an accelerating voltage of 15 kV and efficiency of 0.6, the model findings show that the target surface temperature can reach up to 7500 K at the end of the pulse. The surface begins to melt within 25 ns from the pulse start. For the same process conditions, the estimated ablation depth and ablated mass per unit area are about 0.60 μm and 1.05 μg/mm{sup 2}, respectively. Model results indicate that ablation takes place primarily in the regime of normal vaporization from the surface. The results obtained at an accelerating voltage of 15 kV and efficiency factor of 0.6 are satisfactorily in good accordance with available experimental data in the literature.

The glass transition, crystallization and melting in Au-Pb-Sb alloys

Science.gov (United States)

Lee, M. C.; Allen, J. L.; Fecht, H. J.; Perepezko, J. H.; Ohsaka, K.

1988-01-01

The glass transition, crystallization and melting of Au(55)Pb(22.5)Sb(22.5) alloys have been studied by differential scanning calorimetry DSC. Crystallization on heating above the glass transition temperature Tg (45 C) begins at 64 C. Further crystallization events are observed at 172 C and 205 C. These events were found to correspond to the formation of the intermetallic compounds AuSb2, Au2Pb, and possibly AuPb2, respectively. Isothermal DSC scans of the glassy alloy above Tg were used to monitor the kinetics of crystallization. The solidification behavior and heat capacity in the glass-forming composition range were determined with droplet samples. An undercooling level of 0.3T(L) below the liquidus temperature T(L) was achieved, resulting in crystallization of different stable and metastable phases. The heat capacity C(P) of the undercooled liquid was measured over an undercooling range of 145 C.

Diffusion of hydrous species in model basaltic melt

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Zhang, Li; Guo, Xuan; Wang, Qinxia; Ding, Jiale; Ni, Huaiwei

2017-10-01

Water diffusion in Fe-free model basaltic melt with up to 2 wt% H2O was investigated at 1658-1846 K and 1 GPa in piston-cylinder apparatus using both hydration and diffusion couple techniques. Diffusion profiles measured by FTIR are consistent with a model in which both molecular H2O (H2Om) and hydroxyl (OH) contribute to water diffusion. OH diffusivity is roughly 13% of H2Om diffusivity, showing little dependence on temperature or water concentration. Water diffusion is dominated by the motion of OH until total H2O (H2Ot) concentration reaches 1 wt%. The dependence of apparent H2Ot diffusivity on H2Ot concentration appears to be overestimated by a previous study on MORB melt, but H2Ot diffusivity at 1 wt% H2Ot in basaltic melt is still greater than those in rhyolitic to andesitic melts. The appreciable contribution of OH to water diffusion in basaltic melt can be explained by enhanced mobility of OH, probably associated with the development of free hydroxyl bonded with network-modifying cations, as well as higher OH concentration. Calculation based on the Nernst-Einstein equation demonstrates that OH may serve as an effective charge carrier in hydrous basaltic melt, which could partly account for the previously observed strong influence of water on electrical conductivity of basaltic melt.

Melting of gold microclusters

International Nuclear Information System (INIS)

Garzon, I.L.; Jellinek, J.

1991-01-01

The transition from solid-like to liquid-like behavior in Au n , n=6, 7, 13, clusters is studied using molecular dynamics simulations. A Gupta-type potential with all-neighbour interactions is employed to incorporate n-body effects. The melting-like transition is described in terms of short-time averages of the kinetic energy per particle, root-mean-square bond length fluctuations and mean square displacements. A comparison between melting temperatures of Au n and Ni n clusters is presented. (orig.)

Ultrafast studies of shock-induced melting and phase transitions at LCLS

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McMahon, Malcolm

The study of shock-induced phase transitions, which is vital to the understanding of material response to rapid pressure changes, dates back to the 1950s, when Bankcroft et al reported a transition in iron. Since then, many transitions have been reported in a wide range of materials, but, due to the lack of sufficiently bright x-ray sources, the structural details of these new phases has been notably lacking. While the development of nanosecond in situ x-ray diffraction has meant that lattice-level studies of such phenomena have become possible, including studies of the phase transition reported 60 years ago in iron, the quality of the diffraction data from such studies is noticeably poorer than that obtained from statically-compressed samples on synchrotrons. The advent of x-ray free electron lasers (XFELs), such as the LCLS, has resulted in an unprecedented improvement in the quality of diffraction data that can be obtained from shock-compressed matter. Here I describe the results from three recent experiment at the LCLS that looked at the solid-solid and solid-liquid phase transitions in Sb, Bi and Sc using single 50 fs x-ray exposures. The results provide new insight into the structural changes and melting induced by shock compression. This work is supported by EPSRC under Grant No. EP/J017051/1. Use of the LCLS, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515.

Degenerate Ising model for atomistic simulation of crystal-melt interfaces

Energy Technology Data Exchange (ETDEWEB)

Schebarchov, D., E-mail: Dmitri.Schebarchov@gmail.com [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Schulze, T. P., E-mail: schulze@math.utk.edu [Department of Mathematics, University of Tennessee, Knoxville, Tennessee 37996-1300 (United States); Hendy, S. C. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6140 (New Zealand); Department of Physics, University of Auckland, Auckland 1010 (New Zealand)

2014-02-21

One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

Degenerate Ising model for atomistic simulation of crystal-melt interfaces

International Nuclear Information System (INIS)

Schebarchov, D.; Schulze, T. P.; Hendy, S. C.

2014-01-01

One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level

A multi-component evaporation model for beam melting processes

Science.gov (United States)

Klassen, Alexander; Forster, Vera E.; Körner, Carolin

2017-02-01

In additive manufacturing using laser or electron beam melting technologies, evaporation losses and changes in chemical composition are known issues when processing alloys with volatile elements. In this paper, a recently described numerical model based on a two-dimensional free surface lattice Boltzmann method is further developed to incorporate the effects of multi-component evaporation. The model takes into account the local melt pool composition during heating and fusion of metal powder. For validation, the titanium alloy Ti-6Al-4V is melted by selective electron beam melting and analysed using mass loss measurements and high-resolution microprobe imaging. Numerically determined evaporation losses and spatial distributions of aluminium compare well with experimental data. Predictions of the melt pool formation in bulk samples provide insight into the competition between the loss of volatile alloying elements from the irradiated surface and their advective redistribution within the molten region.

Petrological Geodynamics of Mantle Melting I. AlphaMELTS + Multiphase Flow: Dynamic Equilibrium Melting, Method and Results

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Massimiliano Tirone

2017-10-01

Full Text Available The complex process of melting in the Earth's interior is studied by combining a multiphase numerical flow model with the program AlphaMELTS which provides a petrological description based on thermodynamic principles. The objective is to address the fundamental question of the effect of the mantle and melt dynamics on the composition and abundance of the melt and the residual solid. The conceptual idea is based on a 1-D description of the melting process that develops along an ideal vertical column where local chemical equilibrium is assumed to apply at some level in space and time. By coupling together the transport model and the chemical thermodynamic model, the evolution of the melting process can be described in terms of melt distribution, temperature, pressure and solid and melt velocities but also variation of melt and residual solid composition and mineralogical abundance at any depth over time. In this first installment of a series of three contributions, a two-phase flow model (melt and solid assemblage is developed under the assumption of complete local equilibrium between melt and a peridotitic mantle (dynamic equilibrium melting, DEM. The solid mantle is also assumed to be completely dry. The present study addresses some but not all the potential factors affecting the melting process. The influence of permeability and viscosity of the solid matrix are considered in some detail. The essential features of the dynamic model and how it is interfaced with AlphaMELTS are clearly outlined. A detailed and explicit description of the numerical procedure should make this type of numerical models less obscure. The general observation that can be made from the outcome of several simulations carried out for this work is that the melt composition varies with depth, however the melt abundance not necessarily always increases moving upwards. When a quasi-steady state condition is achieved, that is when melt abundance does not varies significantly

A stress-induced phase transition model for semi-crystallize shape memory polymer

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Guo, Xiaogang; Zhou, Bo; Liu, Liwu; Liu, Yanju; Leng, Jinsong

2014-03-01

The developments of constitutive models for shape memory polymer (SMP) have been motivated by its increasing applications. During cooling or heating process, the phase transition which is a continuous time-dependent process happens in semi-crystallize SMP and the various individual phases form at different temperature and in different configuration. Then, the transformation between these phases occurred and shape memory effect will emerge. In addition, stress applied on SMP is an important factor for crystal melting during phase transition. In this theory, an ideal phase transition model considering stress or pre-strain is the key to describe the behaviors of shape memory effect. So a normal distributed model was established in this research to characterize the volume fraction of each phase in SMP during phase transition. Generally, the experiment results are partly backward (in heating process) or forward (in cooling process) compared with the ideal situation considering delay effect during phase transition. So, a correction on the normal distributed model is needed. Furthermore, a nonlinear relationship between stress and phase transition temperature Tg is also taken into account for establishing an accurately normal distributed phase transition model. Finally, the constitutive model which taking the stress as an influence factor on phase transition was also established. Compared with the other expressions, this new-type model possesses less parameter and is more accurate. For the sake of verifying the rationality and accuracy of new phase transition and constitutive model, the comparisons between the simulated and experimental results were carried out.

Residence time modeling of hot melt extrusion processes.

Science.gov (United States)

Reitz, Elena; Podhaisky, Helmut; Ely, David; Thommes, Markus

2013-11-01

The hot melt extrusion process is a widespread technique to mix viscous melts. The residence time of material in the process frequently determines the product properties. An experimental setup and a corresponding mathematical model were developed to evaluate residence time and residence time distribution in twin screw extrusion processes. The extrusion process was modeled as the convolution of a mass transport process described by a Gaussian probability function, and a mixing process represented by an exponential function. The residence time of the extrusion process was determined by introducing a tracer at the extruder inlet and measuring the tracer concentration at the die. These concentrations were fitted to the residence time model, and an adequate correlation was found. Different parameters were derived to characterize the extrusion process including the dead time, the apparent mixing volume, and a transport related axial mixing. A 2(3) design of experiments was performed to evaluate the effect of powder feed rate, screw speed, and melt viscosity of the material on the residence time. All three parameters affect the residence time of material in the extruder. In conclusion, a residence time model was developed to interpret experimental data and to get insights into the hot melt extrusion process. Copyright © 2013 Elsevier B.V. All rights reserved.

Quantifying DNA melting transitions using single-molecule force spectroscopy

International Nuclear Information System (INIS)

Calderon, Christopher P; Chen, W-H; Harris, Nolan C; Kiang, C-H; Lin, K-J

2009-01-01

We stretched a DNA molecule using an atomic force microscope (AFM) and quantified the mechanical properties associated with B and S forms of double-stranded DNA (dsDNA), molten DNA, and single-stranded DNA. We also fit overdamped diffusion models to the AFM time series and used these models to extract additional kinetic information about the system. Our analysis provides additional evidence supporting the view that S-DNA is a stable intermediate encountered during dsDNA melting by mechanical force. In addition, we demonstrated that the estimated diffusion models can detect dynamical signatures of conformational degrees of freedom not directly observed in experiments.

Quantifying DNA melting transitions using single-molecule force spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Calderon, Christopher P [Department of Computational and Applied Mathematics, Rice University, Houston, TX (United States); Chen, W-H; Harris, Nolan C; Kiang, C-H [Department of Physics and Astronomy, Rice University, Houston, TX (United States); Lin, K-J [Department of Chemistry, National Chung Hsing University, Taichung, Taiwan (China)], E-mail: chkiang@rice.edu

2009-01-21

We stretched a DNA molecule using an atomic force microscope (AFM) and quantified the mechanical properties associated with B and S forms of double-stranded DNA (dsDNA), molten DNA, and single-stranded DNA. We also fit overdamped diffusion models to the AFM time series and used these models to extract additional kinetic information about the system. Our analysis provides additional evidence supporting the view that S-DNA is a stable intermediate encountered during dsDNA melting by mechanical force. In addition, we demonstrated that the estimated diffusion models can detect dynamical signatures of conformational degrees of freedom not directly observed in experiments.

Collective modes in simple melts: Transition from soft spheres to the hard sphere limit.

Science.gov (United States)

Khrapak, Sergey; Klumov, Boris; Couëdel, Lénaïc

2017-08-11

We study collective modes in a classical system of particles with repulsive inverse-power-law (IPL) interactions in the fluid phase, near the fluid-solid coexistence (IPL melts). The IPL exponent is varied from n = 10 to n = 100 to mimic the transition from moderately soft to hard-sphere-like interactions. We compare the longitudinal dispersion relations obtained using molecular dynamic (MD) simulations with those calculated using the quasi-crystalline approximation (QCA) and find that this simple theoretical approach becomes grossly inaccurate for [Formula: see text]. Similarly, conventional expressions for high-frequency (instantaneous) elastic moduli, predicting their divergence as n increases, are meaningless in this regime. Relations of the longitudinal and transverse elastic velocities of the QCA model to the adiabatic sound velocity, measured in MD simulations, are discussed for the regime where QCA is applicable. Two potentially useful freezing indicators for classical particle systems with steep repulsive interactions are discussed.

Decompression-induced melting of ice IV and the liquid-liquid transition in water

Science.gov (United States)

Mishima, Osamu; Stanley, H. Eugene

1998-03-01

Although liquid water has been the focus of intensive research for over 100 years, a coherent physical picture that unifies all of the known anomalies of this liquid, is still lacking. Some of these anomalies occur in the supercooled region, and have been rationalized on the grounds of a possible retracing of the liquid-gas spinodal (metastability limit) line into the supercooled liquid region, or alternatively the presence of a line of first-order liquid-liquid phase transitions in this region which ends in a critical point,. But these ideas remain untested experimentally, in part because supercooled water can be probed only above the homogeneous nucleation temperature TH at which water spontaneously crystallizes. Here we report an experimental approach that is not restricted by the barrier imposed by TH, involving measurement of the decompression-induced melting curves of several high-pressure phases of ice in small emulsified droplets. We find that the melting curve for ice IV seems to undergo a discontinuity at precisely the location proposed for the line of liquid-liquid phase transitions. This is consistent with, but does not prove, the coexistence of two different phases of (supercooled) liquid water. From the experimental data we calculate a possible Gibbs potential surface and a corresponding equation of state for water, from the forms of which we estimate the coordinates of the liquid-liquid critical point to be at pressure Pc ~ 0.1GPa and temperature Tc ~ 220K.

Application of multicomponent medium model for numerical simulation of reactor element melting and melt relocation under severe accidents

International Nuclear Information System (INIS)

Vladimir Ya Kumaev

2005-01-01

Full text of publication follows: Numerical simulation of the melting processes is necessary in substantiating the safety of new generation reactors to determine the quantitative characteristics of the melt formed, destruction of reactor vessel and components, melt interaction processes in the melt localization systems (MLS), formation and transport of hydrogen, radioactive aerosols under severe accidents. The results of computations will be applied in developing the procedures for severe accident management and mitigation of its consequences and designing melt localization systems. The report is devoted to the development and application of the two-dimensional and three-dimensional versions of the DINCOR code intended for numerical simulation of the thermal hydraulic processes in a multicomponent medium with solid-liquid phase changes. The basic set of equations of multicomponent medium is presented. The numerical method to solve the governing equations is discussed. Some examples of two-dimensional code applications are presented. The experience of application of the code has shown that joint calculations of hydrodynamics, heat transfer, stratification and chemical interaction enable the process description accuracy to be significantly increased and the number of initial experimental data to be reduced. The multicomponent medium model can be used as the base for the development of a three-dimensional version of the code. At the same time, it was established that the models being used need be further developed. The most important problems are the following: -development of the local mathematical models of liquefaction and solidification of materials under front melting and melting due to the action of internal sources; -development of the model of incompressible components separation; -development of the models of dissolution and chemical interaction of multicomponent medium components. In conclusion possible verification of the computer code is discussed. (author)

Petrological Geodynamics of Mantle Melting II. AlphaMELTS + Multiphase Flow: Dynamic Fractional Melting

Science.gov (United States)

Tirone, Massimiliano

2018-03-01

In this second installment of a series that aims to investigate the dynamic interaction between the composition and abundance of the solid mantle and its melt products, the classic interpretation of fractional melting is extended to account for the dynamic nature of the process. A multiphase numerical flow model is coupled with the program AlphaMELTS, which provides at the moment possibly the most accurate petrological description of melting based on thermodynamic principles. The conceptual idea of this study is based on a description of the melting process taking place along a 1-D vertical ideal column where chemical equilibrium is assumed to apply in two local sub-systems separately on some spatial and temporal scale. The solid mantle belongs to a local sub-system (ss1) that does not interact chemically with the melt reservoir which forms a second sub-system (ss2). The local melt products are transferred in the melt sub-system ss2 where the melt phase eventually can also crystallize into a different solid assemblage and will evolve dynamically. The main difference with the usual interpretation of fractional melting is that melt is not arbitrarily and instantaneously extracted from the mantle, but instead remains a dynamic component of the model, hence the process is named dynamic fractional melting (DFM). Some of the conditions that may affect the DFM model are investigated in this study, in particular the effect of temperature, mantle velocity at the boundary of the mantle column. A comparison is made with the dynamic equilibrium melting (DEM) model discussed in the first installment. The implications of assuming passive flow or active flow are also considered to some extent. Complete data files of most of the DFM simulations, four animations and two new DEM simulations (passive/active flow) are available following the instructions in the supplementary material.

Viscosity of Heterogeneous Silicate Melts: A Non-Newtonian Model

Science.gov (United States)

Liu, Zhuangzhuang; Blanpain, Bart; Guo, Muxing

2017-12-01

The recently published viscosity data of heterogeneous silicate melts with well-documented structure and experimental conditions are critically re-analyzed and tabulated. By using these data, a non-Newtonian viscosity model incorporating solid fraction, solid shape, and shear rate is proposed on the basis of the power-law equation. This model allows calculating the viscosity of the heterogeneous silicate melts with solid fraction up to 34 vol pct. The error between the calculated and measured data is evaluated to be 32 pct, which is acceptable considering the large error in viscosity measurement of the completely liquid silicate melt.

Model and simulation for melt flow in micro-injection molding based on the PTT model

International Nuclear Information System (INIS)

Cao, Wei; Kong, Lingchao; Li, Qian; Ying, Jin; Shen, Changyu

2011-01-01

Unsteady viscoelastic flows were studied using the finite element method in this work. The Phan-Thien–Tanner (PTT) model was used to represent the rheological behavior of viscoelastic fluids. To effectively describe the microscale effects, the slip boundary condition and surface tension were added to the mathematical model for melt flow in micro-injection molding. The new variational equation of pressure, including the viscoelastic parameters and slip boundary condition, was generalized using integration by parts. A computer code based on the finite element method and finite difference method was developed to solve the melt flow problem. Numerical simulation revealed that the melt viscoelasticity plays an important role in the prediction of melt pressure, temperature at the gate and the succeeding melt front advancement in the cavity. Using the viscoelastic model one can also control the rapid increase in simulated pressure, temperature, and reduce the filling difference among different cavities. The short shot experiments of micro-motor shaft showed that the predicted melt front from the viscoelastic model is in fair agreement with the corresponding experimental results

Modeling the impact of melt on seismic properties during mountain building

Science.gov (United States)

Lee, Amicia L.; Walker, Andrew M.; Lloyd, Geoffrey E.; Torvela, Taija

2017-03-01

Initiation of partial melting in the mid/lower crust causes a decrease in P wave and S wave velocities; recent studies imply that the relationship between these velocities and melt is not simple. We have developed a modeling approach to assess the combined impact of various melt and solid phase properties on seismic velocities and anisotropy. The modeling is based on crystallographic preferred orientation (CPO) data measured from migmatite samples, allowing quantification of the variation of seismic velocities with varying melt volumes, shapes, orientations, and matrix anisotropy. The results show nonlinear behavior of seismic properties as a result of the interaction of all of these physical properties, which in turn depend on lithology, stress regime, strain rate, preexisting rock fabrics, and pressure-temperature conditions. This nonlinear behavior is evident when applied to a suite of samples from a traverse across a migmatitic shear zone in the Seiland Igneous Province, Northern Norway. Critically, changes in solid phase composition and CPO, and melt shape and orientation with respect to the wave propagation direction can result in huge variations in the same seismic property even if the melt fraction remains the same. A comparison with surface wave interpretations from tectonically active regions highlights the issues in current models used to predict melt percentages or partially molten regions. Interpretation of seismic data to infer melt percentages or extent of melting should, therefore, always be underpinned by robust modeling of the underlying geological parameters combined with examination of multiple seismic properties in order to reduce uncertainty of the interpretation.

Heat and mass transfer in semiconductor melts during single-crystal growth processes

Science.gov (United States)

Kakimoto, Koichi

1995-03-01

The quality of large semiconductor crystals grown from melts is significantly affected by the heat and mass transfer in the melts. The current understanding of the phenomena, especially melt convection, is reviewed starting from the results of visualization using model fluids or silicon melt, and continuing to the detailed numerical calculations needed for quantitative modeling of processing with solidification. The characteristics of silicon flows are also reviewed by focusing on the Coriolis force in the rotating melt. Descriptions of flow instabilities are included that show the level of understanding of melt convection with a low Prandtl number. Based on hydrodynamics, the origin of the silicon flow structure is reviewed, and it is discussed whether silicon flow is completely turbulent or has an ordered structure. The phase transition from axisymmetric to nonaxisymmetric flow is discussed using different geometries. Additionally, surface-tension-driven flow is reviewed for Czochralski crystal growth systems.

Simple models for the simulation of submarine melt for a Greenland glacial system model

Science.gov (United States)

Beckmann, Johanna; Perrette, Mahé; Ganopolski, Andrey

2018-01-01

Two hundred marine-terminating Greenland outlet glaciers deliver more than half of the annually accumulated ice into the ocean and have played an important role in the Greenland ice sheet mass loss observed since the mid-1990s. Submarine melt may play a crucial role in the mass balance and position of the grounding line of these outlet glaciers. As the ocean warms, it is expected that submarine melt will increase, potentially driving outlet glaciers retreat and contributing to sea level rise. Projections of the future contribution of outlet glaciers to sea level rise are hampered by the necessity to use models with extremely high resolution of the order of a few hundred meters. That requirement in not only demanded when modeling outlet glaciers as a stand alone model but also when coupling them with high-resolution 3-D ocean models. In addition, fjord bathymetry data are mostly missing or inaccurate (errors of several hundreds of meters), which questions the benefit of using computationally expensive 3-D models for future predictions. Here we propose an alternative approach built on the use of a computationally efficient simple model of submarine melt based on turbulent plume theory. We show that such a simple model is in reasonable agreement with several available modeling studies. We performed a suite of experiments to analyze sensitivity of these simple models to model parameters and climate characteristics. We found that the computationally cheap plume model demonstrates qualitatively similar behavior as 3-D general circulation models. To match results of the 3-D models in a quantitative manner, a scaling factor of the order of 1 is needed for the plume models. We applied this approach to model submarine melt for six representative Greenland glaciers and found that the application of a line plume can produce submarine melt compatible with observational data. Our results show that the line plume model is more appropriate than the cone plume model for simulating

Melting behavior of a model molecular crystalline GeI4

International Nuclear Information System (INIS)

Fuchizaki, Kazuhiro; Asano, Yuta

2015-01-01

A model molecular crystalline GeI 4 was examined using molecular dynamics simulation. The model was constructed in such a way that rigid tetrahedral molecules interact with each other via Lennard-Jones potentials whose centers are located at the vertices of a tetrahedron. Because no other interaction that can “soften” the intermolecular interaction was introduced, the melting curve of the model crystalline material does not exhibit the anomaly that was found for the real substance. However, the current investigation is useful in that it could settle the upper bound of pressure below which the model can predict properties of the molecular liquid. Moreover, singularity-free nature of the melting curve allowed us to analytically treat the melting curve in the light of the Kumari-Dass-Kechin equation. As a result, we could definitely conclude that the well-known Simon equation for the melting curve is merely an approximate expression. The condition for the validity of Simon’s equation was identified. (author)

A conceptual model for the asthenosphere: redox melting in the C-O-H-bearing mantle vs. geophysical observations

Science.gov (United States)

Gaillard, Fabrice; Tarits, Pascal; Massuyeau, Malcolm; David, Sifre; Leila, Hashim; Emmanuel, Gardes

2013-04-01

pump results in an increasingly reduced mantle with depth. Recent surveys have calibrated the carbon-carbonate redox transition at mantle pressure and have located its depth around 180-250 km (depth of redox melting); Deeper, only diamond is stable; Shallower, carbonates, mostly in its molten state, are expected. This petrological model is confronted to the most recent geophysical observations. Such observations indicate that melting must occur at depth down to 400 km, which conflict with the concept of redox melting. What is the composition of the melt? Hydrous silicate melt or hydrous carbonated melt? What does it mean in terms of deep upper mantle redox state?

Studies of pulsed laser melting and rapid solidification using amorphous silicon

International Nuclear Information System (INIS)

Lowndes, D.H.; Wood, R.F.

1984-06-01

Pulsed-laser melting of ion implantation-amorphized silicon layers, and subsequent solidification were studied. Measurements of the onset of melting of amorphous silicon layers and of the duration of melting, and modified melting model calculations demonstrated that the thermal conductivity, K/sub a/, of amorphous silicon is very low (K/sub a/ approx. = 0.02 W/cm-K). K/sub a/ is also the dominant parameter determining the dynamical response of amorphous silicon to pulsed laser radiation. TEM indicates that bulk (volume) nucleation occurs directly from the highly undercooled liquid silicon that can be prepared by pulsed laser melting of amorphous silicon layers at low laser energy densities. A modified thermal melting model is presented. The model calculations demonstrate that the release of latent heat by bulk nucleation occurring during the melt-in process is essential to obtaining agreement with observed depths of melting. These calculations also show that this release of latent heat accompanying bulk nucleation can result in the existence of buried molten layers of silicon in the interior of the sample after the surface has solidified. The bulk nucleation implies that the liquid-to-amorphous phase transition (produced using picosecond or uv nanosecond laser pulses) cannot be explained using purely thermodynamic considerations

Angular forces and melting in bcc transition metals: A case study of molybdenum

International Nuclear Information System (INIS)

Moriarty, J.A.

1994-01-01

Both the multi-ion and effective pair potentials also permit a large amount of supercooling of the liquid before the onset of freezing. With v 2 eff a bcc structure is nucleated at freezing, while with the multi-ion potentials an amorphous glasslike structure is obtained, which appears to be related to the energetically competitive A15 structure. In our second approach to melting, the multi-ion potentials have been used to obtain accurate solid and liquid free energies from quasiharmonic lattice dynamics and MD calculations of thermal energies and pressures. The resulting ion-thermal melting curve exactly overlaps the dynamically observed melting point, indicating that no superheating of the solid occurred in our MD simulations. To obtain a full melting curve, electron-thermal contributions to the solid and liquid free energies are added in terms of the density of electronic states at the Fermi level, ρ(E F ). Here the density of states for the solid has been calculated with the linear-muffin-tin-orbital method, while for the liquid tight-binding calculations have been used to justify a simple model. In the liquid ρ(E F ) is increased dramatically over the bcc solid, and the net effect of the electron-thermal contributions is to lower the calculated melting temperatures by about a factor of 2. A full melting curve to 2 Mbar has thereby been obtained and the calculated melting properties near zero pressure are in generally good agreement with experiment

Force induced DNA melting

International Nuclear Information System (INIS)

Santosh, Mogurampelly; Maiti, Prabal K

2009-01-01

When pulled along the axis, double-strand DNA undergoes a large conformational change and elongates by roughly twice its initial contour length at a pulling force of about 70 pN. The transition to this highly overstretched form of DNA is very cooperative. Applying a force perpendicular to the DNA axis (unzipping), double-strand DNA can also be separated into two single-stranded DNA, this being a fundamental process in DNA replication. We study the DNA overstretching and unzipping transition using fully atomistic molecular dynamics (MD) simulations and argue that the conformational changes of double-strand DNA associated with either of the above mentioned processes can be viewed as force induced DNA melting. As the force at one end of the DNA is increased the DNA starts melting abruptly/smoothly above a critical force depending on the pulling direction. The critical force f m , at which DNA melts completely decreases as the temperature of the system is increased. The melting force in the case of unzipping is smaller compared to the melting force when the DNA is pulled along the helical axis. In the case of melting through unzipping, the double-strand separation has jumps which correspond to the different energy minima arising due to sequence of different base pairs. The fraction of Watson-Crick base pair hydrogen bond breaking as a function of force does not show smooth and continuous behavior and consists of plateaus followed by sharp jumps.

Arctic sea ice melt pond fractal dimension - explained

Science.gov (United States)

Popovic, Predrag

As Arctic sea ice starts to melt in the summer, pools of melt water quickly form on its surface, significantly changing its albedo, and impacting its subsequent evolution. These melt ponds often form complex geometric shapes. One characteristic of their shape, the fractal dimension of the pond boundaries, D, when plotted as a function of pond size, has been shown to transition between the two fundamental limits of D = 1 and D = 2 at some critical pond size. Here, we provide an explanation for this behavior. First, using aerial photographs, we show how this fractal transition curve changes with time, and show that there is a qualitative difference in the pond shape as ice transitions from impermeable to permeable. Namely, while ice is impermeable, maximum fractal dimension is less than 2, whereas after it becomes permeable, maximum fractal dimension becomes very close to 2. We then show how the fractal dimension of a collection of overlapping circles placed randomly on a plane also transitions from D = 1 to D = 2 at a size equal to the average size of a single circle. We, therefore, conclude that this transition is a simple geometric consequence of regular shapes connecting. The one physical parameter that can be extracted from the fractal transition curve is the length scale at which transition occurs. We provide a possible explanation for this length scale by noting that the flexural wavelength of the ice poses a fundamental limit on the size of melt ponds on permeable ice. If this is true, melt ponds could be used as a proxy for ice thickness.

Melting of size-selected gallium clusters with 60-183 atoms.

Science.gov (United States)

Pyfer, Katheryne L; Kafader, Jared O; Yalamanchali, Anirudh; Jarrold, Martin F

2014-07-10

Heat capacities have been measured as a function of temperature for size-selected gallium cluster cations with between 60 and 183 atoms. Almost all clusters studied show a single peak in the heat capacity that is attributed to a melting transition. The peaks can be fit by a two-state model incorporating only fully solid-like and fully liquid-like species, and hence no partially melted intermediates. The exceptions are Ga90(+), which does not show a peak, and Ga80(+) and Ga81(+), which show two peaks. For the clusters with two peaks, the lower temperature peak is attributed to a structural transition. The melting temperatures for clusters with less than 50 atoms have previously been shown to be hundreds of degrees above the bulk melting point. For clusters with more than 60 atoms the melting temperatures decrease, approaching the bulk value (303 K) at around 95 atoms, and then show several small upward excursions with increasing cluster size. A plot of the latent heat against the entropy change for melting reveals two groups of clusters: the latent heats and entropy changes for clusters with less than 94 atoms are distinct from those for clusters with more than 93 atoms. This observation suggests that a significant change in the nature of the bonding or the structure of the clusters occurs at 93-94 atoms. Even though the melting temperatures are close to the bulk value for the larger clusters studied here, the latent heats and entropies of melting are still far from the bulk values.

Pre-melting hcp to bcc Transition in Beryllium: A Study by First-Principles Phonon Quasiparticle Approach

Science.gov (United States)

Zhang, D. B., Sr.

2017-12-01

Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

Communication: A coil-stretch transition in planar elongational flow of an entangled polymeric melt

Science.gov (United States)

Nafar Sefiddashti, Mohammad H.; Edwards, Brian J.; Khomami, Bamin

2018-04-01

Virtual experimentation of atomistic entangled polyethylene melts undergoing planar elongational flow revealed an amazingly detailed depiction of individual macromolecular dynamics and the resulting effect on bistable configurational states. A clear coil-stretch transition was evident, in much the same form as first envisioned by de Gennes for dilute solutions of high polymers, resulting in an associated hysteresis in the configurational flow profile over the range of strain rates predicted by theory. Simulations conducted at steady state revealed bimodal distribution functions, in which equilibrium configurational states were simultaneously populated by relatively coiled and stretched molecules which could transition from one conformational mode to the other over a relatively long time scale at critical values of strain rates. The implication of such behavior points to a double-well conformational free energy potential with an activation barrier between the two configurational minima.

Structure and dynamics of molecular clusters. 2. Melting and freezing of CCl4 clusters

International Nuclear Information System (INIS)

Bartell, L.S.; Chen, Jian

1992-01-01

Phase transitions of a 225-molecule cluster of carbon tetrachloride have been studied by a molecular dynamics simulation. A five-site model potential function was developed to reproduce the density and heat of vaporization of the bulk liquid. Computations began with orientationally disordered molecules distributed in fcc lattice sites of a nearly spherical cluster. The cluster was heated from a low temperature to 200 K in 10-deg steps of 50 ps each and then cooled to 10 K. Translational and rotational transitions were monitored by following several indicators including the translational and rotational diffusion and rotational entropies of individual molecules. Melting began at the surface and propagated inward as the temperature increased. Solidification of the molten cluster proceeded from the center to the surface. At the high cooling rate of the simulation, however, molecules were unable to organize into a crystalline array and solidified into a glassy structure instead. Except for spatial order, the indicators of degree of liquefaction exhibited almost the same temperature dependence in the crystsl → liquid as in the liquid → glass transition, a behavior that could be rationalized on the basis of Lindemann's theory of melting. Results were compared with predictions of an illustrative model due to Reiss, Mirabel, and Whetten. Qualitatively, the model included all of the features of the simulation. Quantitatively, the model grossly underestimated the range over which the melting transition took place. 40 refs., 10 figs., 1 tab

Anisotropic Defect-Mediated Melting of Two-Dimensional Colloidal Crystals

Science.gov (United States)

Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.

2004-09-01

The melting transition of anisotropic two-dimensional (2D) crystals is studied in a model system of superparamagnetic colloids. The anisotropy of the induced dipole-dipole interaction is varied by tilting the external magnetic field off the normal to the particle plane. By analyzing the time-dependent Lindemann parameter as well as translational and orientational order we observe a 2D smecticlike phase. The Kosterlitz-Thouless-Halperin-Nelson-Young scenario of isotropic melting is modified: dislocation pairs and dislocations appear with different probabilities depending on their orientation with respect to the in-plane field.

Microstructures define melting of molybdenum at high pressures

Science.gov (United States)

Hrubiak, Rostislav; Meng, Yue; Shen, Guoyin

2017-03-01

High-pressure melting anchors the phase diagram of a material, revealing the effect of pressure on the breakdown of the ordering of atoms in the solid. An important case is molybdenum, which has long been speculated to undergo an exceptionally steep increase in melting temperature when compressed. On the other hand, previous experiments showed nearly constant melting temperature as a function of pressure, in large discrepancy with theoretical expectations. Here we report a high-slope melting curve in molybdenum by synchrotron X-ray diffraction analysis of crystalline microstructures, generated by heating and subsequently rapidly quenching samples in a laser-heated diamond anvil cell. Distinct microstructural changes, observed at pressures up to 130 gigapascals, appear exclusively after melting, thus offering a reliable melting criterion. In addition, our study reveals a previously unsuspected transition in molybdenum at high pressure and high temperature, which yields highly textured body-centred cubic nanograins above a transition temperature.

Role of cell deformability in the two-dimensional melting of biological tissues

Science.gov (United States)

Li, Yan-Wei; Ciamarra, Massimo Pica

2018-04-01

The size and shape of a large variety of polymeric particles, including biological cells, star polymers, dendrimes, and microgels, depend on the applied stresses as the particles are extremely soft. In high-density suspensions these particles deform as stressed by their neighbors, which implies that the interparticle interaction becomes of many-body type. Investigating a two-dimensional model of cell tissue, where the single particle shear modulus is related to the cell adhesion strength, here we show that the particle deformability affects the melting scenario. On increasing the temperature, stiff particles undergo a first-order solid/liquid transition, while soft ones undergo a continuous solid/hexatic transition followed by a discontinuous hexatic/liquid transition. At zero temperature the melting transition driven by the decrease of the adhesion strength occurs through two continuous transitions as in the Kosterlitz, Thouless, Halperin, Nelson, and Young scenario. Thus, there is a range of adhesion strength values where the hexatic phase is stable at zero temperature, which suggests that the intermediate phase of the epithelial-to-mesenchymal transition could be hexatic type.

Evaluation of methods for characterizing the melting curves of a high temperature cobalt-carbon fixed point to define and determine its melting temperature

Science.gov (United States)

Lowe, David; Machin, Graham

2012-06-01

The future mise en pratique for the realization of the kelvin will be founded on the melting temperatures of particular metal-carbon eutectic alloys as thermodynamic temperature references. However, at the moment there is no consensus on what should be taken as the melting temperature. An ideal melting or freezing curve should be a completely flat plateau at a specific temperature. Any departure from the ideal is due to shortcomings in the realization and should be accommodated within the uncertainty budget. However, for the proposed alloy-based fixed points, melting takes place over typically some hundreds of millikelvins. Including the entire melting range within the uncertainties would lead to an unnecessarily pessimistic view of the utility of these as reference standards. Therefore, detailed analysis of the shape of the melting curve is needed to give a value associated with some identifiable aspect of the phase transition. A range of approaches are or could be used; some purely practical, determining the point of inflection (POI) of the melting curve, some attempting to extrapolate to the liquidus temperature just at the end of melting, and a method that claims to give the liquidus temperature and an impurity correction based on the analytical Scheil model of solidification that has not previously been applied to eutectic melting. The different methods have been applied to cobalt-carbon melting curves that were obtained under conditions for which the Scheil model might be valid. In the light of the findings of this study it is recommended that the POI continue to be used as a pragmatic measure of temperature but where required a specified limits approach should be used to define and determine the melting temperature.

Determination of enthalpy–temperature–composition relations in incongruent-melting phase change materials

International Nuclear Information System (INIS)

Desgrosseilliers, Louis; Allred, Paul; Groulx, Dominic; White, Mary Anne

2013-01-01

This paper demonstrates that liquidus line (T-x) data can be obtained from calorimetric determinations of phase transition enthalpy profiles (H-T) for incongruent-melting phase change materials (PCMs) more efficiently than using traditional cooling curves. An accurate and reliable equilibrium mixture enthalpy model bridges the H-T and T-x gap to provide a full suite of high density H-T-x data to assist latent heat energy storage researchers to evaluate composition-dependent two-phase equilibrium processes. The proposed method is validated for T-history method H-T determinations of 1:1 diluted sodium acetate trihydrate in water, and can also be used with other laboratory calorimetric techniques used to determine the phase transition enthalpy profiles of incongruent-melting compounds. -- Highlights: • H-T data can also be used to obtain valuable liquidus region T-x data. • Applies to all incongruent-melting compounds with known thermodynamic properties. • Reduces the effort and cost of assessing full suite H-T-x data for PCMs. • Uses existing T-x or H-T data of incongruent-melting PCMs to determine the other

The melting of stable glasses is governed by nucleation-and-growth dynamics

International Nuclear Information System (INIS)

Jack, Robert L.; Berthier, Ludovic

2016-01-01

We discuss the microscopic mechanisms by which low-temperature amorphous states, such as ultrastable glasses, transform into equilibrium fluids, after a sudden temperature increase. Experiments suggest that this process is similar to the melting of crystals, thus differing from the behaviour found in ordinary glasses. We rationalize these observations using the physical idea that the transformation process takes place close to a “hidden” equilibrium first-order phase transition, which is observed in systems of coupled replicas. We illustrate our views using simulation results for a simple two-dimensional plaquette spin model, which is known to exhibit a range of glassy behaviour. Our results suggest that nucleation-and-growth dynamics, as found near ordinary first-order transitions, is also the correct theoretical framework to analyse the melting of ultrastable glasses. Our approach provides a unified understanding of multiple experimental observations, such as propagating melting fronts, large kinetic stability ratios, and “giant” dynamic length scales. We also provide a comprehensive discussion of available theoretical pictures proposed in the context of ultrastable glass melting.

Ex-Vessel Core Melt Modeling Comparison between MELTSPREAD-CORQUENCH and MELCOR 2.1

Energy Technology Data Exchange (ETDEWEB)

Robb, Kevin R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Farmer, Mitchell [Argonne National Lab. (ANL), Argonne, IL (United States); Francis, Matthew W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2014-03-01

System-level code analyses by both United States and international researchers predict major core melting, bottom head failure, and corium-concrete interaction for Fukushima Daiichi Unit 1 (1F1). Although system codes such as MELCOR and MAAP are capable of capturing a wide range of accident phenomena, they currently do not contain detailed models for evaluating some ex-vessel core melt behavior. However, specialized codes containing more detailed modeling are available for melt spreading such as MELTSPREAD as well as long-term molten corium-concrete interaction (MCCI) and debris coolability such as CORQUENCH. In a preceding study, Enhanced Ex-Vessel Analysis for Fukushima Daiichi Unit 1: Melt Spreading and Core-Concrete Interaction Analyses with MELTSPREAD and CORQUENCH, the MELTSPREAD-CORQUENCH codes predicted the 1F1 core melt readily cooled in contrast to predictions by MELCOR. The user community has taken notice and is in the process of updating their systems codes; specifically MAAP and MELCOR, to improve and reduce conservatism in their ex-vessel core melt models. This report investigates why the MELCOR v2.1 code, compared to the MELTSPREAD and CORQUENCH 3.03 codes, yield differing predictions of ex-vessel melt progression. To accomplish this, the differences in the treatment of the ex-vessel melt with respect to melt spreading and long-term coolability are examined. The differences in modeling approaches are summarized, and a comparison of example code predictions is provided.

Holographic picture of heavy vector meson melting

Energy Technology Data Exchange (ETDEWEB)

Braga, Nelson R.F.; Diles, Saulo [Universidade Federal do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro, RJ (Brazil); Martin Contreras, Miguel Angel [Universidad de los Andes, High Energy Group, Department of Physics, Bogota (Colombia)

2016-11-15

The fraction of heavy vector mesons produced in a heavy ion collision, as compared to a proton-proton collision, serves as an important indication of the formation of a thermal medium, the quark-gluon plasma. This sort of analysis strongly depends on understanding the thermal effects of a medium like the plasma on the states of heavy mesons. In particular, it is crucial to know the temperature ranges where they undergo a thermal dissociation, or melting. AdS/QCD models are know to provide an important tool for the calculation of hadronic masses, but in general are not consistent with the observation that decay constants of heavy vector mesons decrease with excitation level. It has recently been shown that this problem can be overcome using a soft wall background and introducing an extra energy parameter, through the calculation of correlation functions at a finite position of anti-de Sitter space. This approach leads to the evaluation of masses and decay constants of S wave quarkonium states with just one flavor dependent and one flavor independent parameter. Here we extend this more realistic model to finite temperatures and analyze the thermal behavior of the states 1S, 2S and 3S of bottomonium and charmonium. The corresponding spectral function exhibits a consistent picture for the melting of the states where, for each flavor, the higher excitations melt at lower temperatures. We estimate for these six states the energy ranges in which the heavy vector mesons undergo a transition from a well-defined peak in the spectral function to complete melting in the thermal medium. A very clear distinction between the heavy flavors emerges, with the bottomonium state Υ(1S) surviving a deconfinement transition at temperatures much larger than the critical deconfinement temperature of the medium. (orig.)

A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

Science.gov (United States)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.

Using thermodynamic data to reproduce main seismic features of transition zone

Science.gov (United States)

Fomin, Ilya; Saukko, Anna; Edwards, Paul; Schiffer, Christian

2016-04-01

Most of the seismic tomography studies nowadays are based on comprehensive models with optimization of lots of parameters. These models are able to resolve very subtle features of the Earth's mantle, but the influence of each specific parameter is not seen directly. In our research we try to minimize the number of processed parameters to produce simple synthetic cases. The main goals of our model are to see how water content influences the depth of the transition zone, and if melting at the transition zone is plausible. We also attempt to see how water content and the presence of melts influence the signal strength of the transition zone in receiver functions. Our MATLAB-code calculates phase assemblage according to specific temperature and pressure within 2D numerical domain (e.g. 300x700 km). Phase properties are calculated with database of Stixrude and Lithgow-Bertelloni [2011], with corrections for water impact on elastic constants according to Liu et al., [2012]. We use the mantle phase composition 55% garnet and 45% olivine-polymorph, soliduses by Ohtani et al. [2004] and melt properties by Sakamaki et al. [2006]. These data are used to calculate seismic velocities and, furthermore, receiver functions with standard routines (e.g.[Schiffer et al., 2012]). Model predicts Vs within 5 to 5.5 km/s and Vp around 9.5-10 km/s within transition zone (Vp/Vs = 1.84-1.87), which is close to standard values. The presence of water enlarges the wadsleyite region, but also dampens the peak of receiver functions down to background level. Increase in water content causes melting at much shallower depths. Using a normal thermal gradient, we can get up to 10% of melt at depths around 390 km with 80% of water saturation, shown by a negative anomaly on receiver functions. This result is similar to data obtained for Afar Plateau [Thompson et al., 2015]. With cratonic thermal gradient, the olivine-wadsleyite transition and corresponding melt layer appear at depths around 350 km

Mathematical model of melt flow channel granulator

Directory of Open Access Journals (Sweden)

A. A. Kiselev

2016-01-01

Full Text Available Granulation of carbohydrate-vitamin-mineral supplements based on molasses is performed at a high humidity (26 %, so for a stable operation of granulator it is necessary to reveal its melt flow pattern. To describe melt non-isothermal flow in the granulator a mathematical model with following initial equations: continuity equation, motion equation and rheological equation – was developed. The following assumptions were adopted: the melt flow in the granulator is a steady laminar flow; inertial and gravity forces can be ignored; melt is an incompressible fluid; velocity gradient in the flow direction is much smaller than in the transverse direction; the pressure gradient over the cross section of the channel is constant; the flow is hydrodynamically fully developed; effects impact on the channel inlet and outlet may be neglected. Due to the assumptions adopted, it can be considered that in this granulator only velocity components in the x-direction are significant and all the members of the equation with the components and their derivatives with respect to the coordinates y and z can be neglected. The resulting solutions were obtained: the equation for the mean velocity, the equation for determining the volume flow, the formula for calculating of mean time of the melt being in the granulator, the equation for determining the shear stress, the equation for determining the shear rate and the equation for determining the pressure loss. The results of calculations of the equations obtained are in complete agreement with the experimental data; deviation range is 16–19 %. The findings about the melt movement pattern in granulator allowed developing a methodology for calculating a rational design of the granulator molding unit.

Modeling and simulation of melt-layer erosion during a plasma disruption

International Nuclear Information System (INIS)

Hassanein, A.; Belan, V.; Konkashbaev, I.; Nikandrov, L.; Safronov, V.; Zhitlukhin, A.; Litunovsky, V.

1997-01-01

Metallic plasma-facing components (PFCs) e.g. beryllium and tungsten, will be subjected to severe melting during plasma instabilities such as disruptions, edge-localized modes and high power excursions. Because of the greater thickness of the resulting melt layers relative to that of the surface vaporization, the potential loss of the developing melt-layer can significantly shorten PFC lifetime, severely contaminate the plasma and potentially prevent successful operation of the tokamak reactor. Mechanisms responsible for melt-layer loss during plasma instabilities are being modeled and evaluated. Of particular importance are hydrodynamic instabilities developed in the liquid layer due to various forces such as those from magnetic fields, plasma impact momentum, vapor recoil and surface tension. Another mechanism found to contribute to melt-layer splashing loss is volume bubble boiling, which can result from overheating of the liquid layer. To benchmark these models, several new experiments were designed and performed in different laboratory devices for this work; the SPLASH codes) are generally in good agreement with the experimental results. The effect of in-reactor disruption conditions, which do not exist in simulation experiments, on melt-layer erosion is discussed. (orig.)

Volume dependence of the melting temperature for alkali metals with Debye's model

International Nuclear Information System (INIS)

Soma, T.; Kagaya, H.M.; Nishigaki, M.

1983-01-01

Using the volume dependence of the Grueneisen constant at higher temperatures, the volume effect on the melting temperature of alkali metals is studied by Lindeman's melting law and Debye's model. The obtained melting curve increases as a function of the compressed volume and shows the maximum of the melting point at the characteristic volume. The resultant data are qualitatively in agreement with the observed tendency for alkali metals. (author)

Mathematical modeling of quartz particle melting process in plasma-chemical reactor

Energy Technology Data Exchange (ETDEWEB)

Volokitin, Oleg, E-mail: volokitin-oleg@mail.ru; Volokitin, Gennady, E-mail: vgg-tomsk@mail.ru; Skripnikova, Nelli, E-mail: nks2003@mai.ru; Shekhovtsov, Valentin, E-mail: shehovcov2010@yandex.ru [Tomsk State University of Architecture and Building, 2, Solyanaya Sq., 634003, Tomsk (Russian Federation); Vlasov, Viktor, E-mail: rector@tsuab.ru [Tomsk State University of Architecture and Building, 2, Solyanaya Sq., 634003, Tomsk (Russian Federation); National Research Tomsk Polytechnic University, 30, Lenin Ave., 634050, Tomsk (Russian Federation)

2016-01-15

Among silica-based materials vitreous silica has a special place. The paper presents the melting process of a quartz particle under conditions of low-temperature plasma. A mathematical model is designed for stages of melting in the experimental plasma-chemical reactor. As calculation data show, quartz particles having the radius of 0.21≤ r{sub p} ≤0.64 mm completely melt at W = 0.65 l/s particle feed rate depending on the Nusselt number, while 0.14≤ r{sub p} ≤0.44 mm particles melt at W = 1.4 l/s. Calculation data showed that 2 mm and 0.4 mm quartz particles completely melted during and 0.1 s respectively. Thus, phase transformations occurred in silicon dioxide play the important part in its heating up to the melting temperature.

Modeling of melt retention in EU-APR1400 ex-vessel core catcher

Energy Technology Data Exchange (ETDEWEB)

Granovsky, V. S.; Sulatsky, A. A.; Khabensky, V. B.; Sulatskaya, M. B. [Alexandrov Research Inst. of Technology NITI, Sosnovy Bor (Russian Federation); Gusarov, V. V.; Almyashev, V. I.; Komlev, A. A. [Saint Petersburg State Technological Univ. SPbSTU, St.Petersburg (Russian Federation); Bechta, S. [KTH, Stockholm (Sweden); Kim, Y. S. [KHNP, 1312 Gil 70, Yuseongdaero, Yuseong-gu, Daejeon (Korea, Republic of); Park, R. J.; Kim, H. Y.; Song, J. H. [KAERI, 989 Gil 111, Daedeokdaero, Yuseong-gu, Daejeon (Korea, Republic of)

2012-07-01

A core catcher is adopted in the EU-APR1400 reactor design for management and mitigation of severe accidents with reactor core melting. The core catcher concept incorporates a number of engineering solutions used in the catcher designs of European EPR and Russian WER-1000 reactors, such as thin-layer corium spreading for better cooling, retention of the melt in a water-cooled steel vessel, and use of sacrificial material (SM) to control the melt properties. SM is one of the key elements of the catcher design and its performance is critical for melt retention efficiency. This SM consists of oxide components, but the core catcher also includes sacrificial steel which reacts with the metal melt of the molten corium to reduce its temperature. The paper describes the required properties of SM. The melt retention capability of the core catcher can be confirmed by modeling the heat fluxes to the catcher vessel to show that it will not fail. The fulfillment of this requirement is demonstrated on the example of LBLOCA severe accident. Thermal and physicochemical interactions between the oxide and metal melts, interactions of the melts with SM, sacrificial steel and vessel, core catcher external cooling by water and release of non-condensable gases are modeled. (authors)

Low-Frequency Internal Friction Study on the Structural Changes in Polymer Melts

International Nuclear Information System (INIS)

Xue-Bang, Wu; Qiao-Ling, Xu; Shu-Ying, Shang; Jia-Peng, Shui; Chang-Song, Liu; Zhen-Gang, Zhu

2008-01-01

With the help of the low-frequency internal friction method, we investigate the structural properties of polymer melts, such as amorphous polystyrene (PS), poly(methyl methacrylate) (PMMA), and semi-crystalline poly(ethylene oxide) (PEO). An obvious peak of relaxation type is found in each of the internal friction curves. The peak temperature T p follows the relation T p ≈ (1.15 – 1.18) T g for PS and PMMA melts, while it follows T p ≈ 1.22T m for PEO melt, with T g being the glass transition temperature and T m the melting temperature. Based on the analysis of the features of this peak, it is found that this peak is related to the liquid-liquid transition temperature T u of polymer melts. Mechanism of the liquid-liquid transition is suggested to be thermally-activated collective relaxation through cooperation. This finding may be helpful to understand the structural changes in polymer melts. In addition, the internal friction technique proves to be effective in studying dynamics in polymer melts

Modeling the kinetics of volatilization from glass melts

NARCIS (Netherlands)

Beerkens, R.G.C.

2001-01-01

A model description for the evaporation kinetics from glass melts in direct contact with static atmospheres or flowing gas phases is presented. The derived models and equations are based on the solution of the second Ficks' diffusion law and quasi-steady-state mass transfer relations, taking into

Vortex lattice melting, pinning and kinetics

International Nuclear Information System (INIS)

Doniach, S.; Ryu, S.; Kapitulnik, A.

1994-01-01

The phenomenology of the high T c superconductors is discussed both at the level of the thermodynamics of melting of the Abrikosov flux lattice and in terms of the melting and kinetics of the flux lattice for a pinned system. The authors review results on 3D melting obtained by a Monte Carlo simulation approach in which the 2D open-quotes pancakeclose quotes vortices are treated as statistical variables. The authors discuss pinning in the context of the strong pinning regime in which the vortex density given in terms of the applied field B is small compared to that represented by an effective field B pin measuring the pinning center density. The authors introduce a new criterion for the unfreezing of a vortex glass on increase of magnetic field or temperature, in the strong pinning, small field unit. The authors model this limit in terms of a single flux line interacting with a columnar pin. This model is studied both analytically and by computer simulation. By applying a tilt potential, the authors study the kinetics of the vortex motion in an external current and show that the resulting current-voltage characteristic follows a basic vortex glass-like scaling relation in the vicinity of the depinning transition

Bubble removal and sand dissolution in an electrically heated glass melting channel with defined melt flow examined by mathematical modelling

Czech Academy of Sciences Publication Activity Database

Hrbek, L.; Kocourková, P.; Jebavá, Marcela; Cincibusová, P.; Němec, Lubomír

2017-01-01

Roč. 456, JAN 15 (2017), s. 101-113 ISSN 0022-3093 Institutional support: RVO:67985891 Keywords : glass melt flow * mathematical modelling * energy distribution * space utilization * melting performance Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass OBOR OECD: Ceramics Impact factor: 2.124, year: 2016

Two-dimensional melting of colloids with long-range attractive interactions.

Science.gov (United States)

Du, Di; Doxastakis, Manolis; Hilou, Elaa; Biswal, Sibani Lisa

2017-02-22

The solid-liquid melting transition in a two-dimensional (2-D) attractive colloidal system is visualized using superparamagnetic colloids that interact through a long-range isotropic attractive interaction potential, which is induced using a high-frequency rotating magnetic field. Various experiments, supported by Monte Carlo simulations, are carried out over a range of interaction potentials and densities to determine structure factors, Lindermann parameters, and translational and orientational order parameters. The system shows a first-order solid-liquid melting transition. Simulations and experiments suggest that dislocations and disclinations simultaneously unbind during melting. This is in direct contrast with reports of 2-D melting of paramagnetic particles that interact with a repulsive interaction potential.

Trace Elements in Basalts From the Siqueiros Fracture Zone: Implications for Melt Migration Models

Science.gov (United States)

Pickle, R. C.; Forsyth, D. W.; Saal, A. E.; Nagle, A. N.; Perfit, M. R.

2008-12-01

Incompatible trace element (ITE) ratios in MORB from a variety of locations may provide insights into the melt migration process by constraining aggregated melt compositions predicted by mantle melting and flow models. By using actual plate geometries to create a 3-D thermodynamic mantle model, melt volumes and compositions at all depths and locations may be calculated and binned into cubes using the pHMELTS algorithm [Asimow et al., 2004]. These melts can be traced from each cube to the surface assuming several migration models, including a simplified pressure gradient model and one in which melt is guided upwards by a low permeability compacted layer. The ITE ratios of all melts arriving at the surface are summed, averaged, and compared to those of the actual sample compositions from the various MOR locales. The Siqueiros fracture zone at 8° 20' N on the East Pacific Rise (EPR) comprises 4 intra-transform spreading centers (ITSCs) across 140 km of offset between two longer spreading ridges, and is an excellent study region for several reasons. First, an abundance of MORB data is readily available, and the samples retrieved from ITSCs are unlikely to be aggregated in a long-lived magma chamber or affected by along-axis transport, so they represent melts extracted locally from the mantle. Additionally, samples at Siqueiros span a compositional range from depleted to normal MORB within the fracture zone yet have similar isotopic compositions to samples collected from the 9-10° EPR. This minimizes the effect of assuming a uniform source composition in our melting model despite a heterogeneous mantle, allowing us to consistently compare the actual lava composition with that predicted by our model. Finally, it has been demonstrated with preliminary migration models that incipient melts generated directly below an ITSC may not necessarily erupt at that ITSC but migrate laterally towards a nearby ridge due to enhanced pressure gradients. The close proximity of the

Three-dimensional model of heat transport during In Situ Vitrification with melting and cool down

International Nuclear Information System (INIS)

Hawkes, G.L.

1993-01-01

A potential technology for permanent remediation of buried wastes is the In Situ Vitrification (ISV) process. This process uses electrical resistance heating to melt waste and contaminated soil in place to produce a durable, glasslike material that encapsulates and immobilizes buried wastes. The magnitude of the resulting electrical resistance heating is sufficient to cause soil melting. As the molten region grows, surface heat losses cause the soil near the surface to re solidify. This paper presents numerical results obtained by considering heat transport and melting when solving the conservation of mass and energy equations using finite element methods. A local heat source is calculated by solving the electric field equation and calculating a Joule Heat source term. The model considered is a three-dimensional model of the electrodes and surrounding soil. Also included in the model is subsidence; where the surface of the melted soil subsides due to the change in density when the soil melts. A power vs. time profile is implemented for typical ISV experiments. The model agrees well with experimental data for melt volume and melt shape

Evaluating the Sensitivity of Glacial Isostatic Adjustment to a Hydrous Melt at 410 km Depth

Science.gov (United States)

Hill, A. M.; Milne, G. A.; Ranalli, G.

2017-12-01

We present a sensitivity analysis aimed at testing whether observables related to GIA can support or refute the existence of a low viscosity partial melt layer located above the mantle transition zone, as required by the so-called "Transition Zone Water Filter" model (Bercovici and Karato 2003). In total, 400 model runs were performed sampling a range of melt layer thicknesses (1, 10 & 20 km) and viscosities (1015 - 1019 Pas) as well as plausible viscosity values in the upper and lower mantle. Comparing model output of postglacial decay times and j2, 18 of the considered viscosity models were found to be compatible with all of the observational constraints. Amongst these, only three `background' upper and lower mantle viscosities are permitted regardless of the properties of the melt layer: an upper mantle value of 3×1020 Pas and lower mantle values of 1022, 3×1022 and 5×1022 Pas. Concerning the properties of the melt layer itself, a thin (1 km) layer may have any of the investigated viscosities (1015 to 1019 Pas). For thicker melt layers, the viscosity must be ≥1018 Pas (20 km) or ≥1017 Pas (10 km). Our results indicate clear parameter trade-offs between the properties of the melt layer and the background viscosity structure. Given that the observations permit several values of lower mantle viscosity, we conclude that tightening constraints on this parameter would be valuable for future investigation of the type presented here. Furthermore, while decay times from both locations considered in this investigation (Ångerman River, Sweden; Richmond Gulf, Canada) offer meaningful constraints on viscosity structure, the value for Richmond Gulf is significantly more uncertain and so increasing its precision would likely result in improved viscosity constraints.

A model for the latent heat of melting in free standing metal nanoparticles

International Nuclear Information System (INIS)

Shin, Jeong-Heon; Deinert, Mark R.

2014-01-01

Nanoparticles of many metals are known to exhibit scale dependent latent heats of melting. Analytical models for this phenomenon have so far failed to completely capture the observed phenomena. Here we present a thermodynamic analysis for the melting of metal nanoparticles in terms of their internal energy and a scale dependent surface tension proposed by Tolman. The resulting model predicts the scale dependence of the latent heat of melting and is confirmed using published data for tin and aluminum

Phase behavior and reactive transport of partial melt in heterogeneous mantle model

Science.gov (United States)

Jordan, J.; Hesse, M. A.

2013-12-01

The reactive transport of partial melt is the key process that leads to the chemical and physical differentiation of terrestrial planets and smaller celestial bodies. The essential role of the lithological heterogeneities during partial melting of the mantle is increasingly recognized. How far can enriched melts propagate while interacting with the ambient mantle? Can the melt flow emanating from a fertile heterogeneity be localized through a reactive infiltration feedback in a model without exogenous factors or contrived initial conditions? A full understanding of the role of heterogeneities requires reactive melt transport models that account for the phase behavior of major elements. Previous work on reactive transport in the mantle focuses on trace element partitioning; we present the first nonlinear chromatographic analysis of reactive melt transport in systems with binary solid solution. Our analysis shows that reactive melt transport in systems with binary solid solution leads to the formation of two separate reaction fronts: a slow melting/freezing front along which enthalpy change is dominant and a fast dissolution/precipitation front along which compositional changes are dominated by an ion-exchange process over enthalpy change. An intermediate state forms between these two fronts with a bulk-rock composition and enthalpy that are not necessarily bounded by the bulk-rock composition and enthalpy of either the enriched heterogeneity or the depleted ambient mantle. The formation of this intermediate state makes it difficult to anticipate the porosity changes and hence the stability of reaction fronts. Therefore, we develop a graphical representation for the solution that allows identification of the intermediate state by inspection, for all possible bulk-rock compositions and enthalpies of the heterogeneity and the ambient mantle. We apply the analysis to the partial melting of an enriched heterogeneity. This leads to the formation of moving precipitation

GLASS MELTING PHENOMENA, THEIR ORDERING AND MELTING SPACE UTILISATION

Directory of Open Access Journals (Sweden)

Němec L.

2013-12-01

Full Text Available Four aspects of effective glass melting have been defined – namely the fast kinetics of partial melting phenomena, a consideration of the melting phenomena ordering, high utilisation of the melting space, and effective utilisation of the supplied energy. The relations were defined for the specific melting performance and specific energy consumption of the glass melting process which involve the four mentioned aspects of the process and indicate the potentials of effective melting. The quantity “space utilisation” has been treated in more detail as an aspect not considered in practice till this time. The space utilisation was quantitatively defined and its values have been determined for the industrial melting facility by mathematical modelling. The definitions of the specific melting performance and specific energy consumption have been used for assessment of the potential impact of a controlled melt flow and high space utilisation on the melting process efficiency on the industrial scale. The results have shown that even the partial control of the melt flow, leading to the partial increase of the space utilisation, may considerably increase the melting performance, whereas a decrease of the specific energy consumption was determined to be between 10 - 15 %.

Crystallization in melts of short, semiflexible hard polymer chains: An interplay of entropies and dimensions

Science.gov (United States)

Shakirov, T.; Paul, W.

2018-04-01

What is the thermodynamic driving force for the crystallization of melts of semiflexible polymers? We try to answer this question by employing stochastic approximation Monte Carlo simulations to obtain the complete thermodynamic equilibrium information for a melt of short, semiflexible polymer chains with purely repulsive nonbonded interactions. The thermodynamics is obtained based on the density of states of our coarse-grained model, which varies by up to 5600 orders of magnitude. We show that our polymer melt undergoes a first-order crystallization transition upon increasing the chain stiffness at fixed density. This crystallization can be understood by the interplay of the maximization of different entropy contributions in different spatial dimensions. At sufficient stiffness and density, the three-dimensional orientational interactions drive the orientational ordering transition, which is accompanied by a two-dimensional translational ordering transition in the plane perpendicular to the chains resulting in a hexagonal crystal structure. While the three-dimensional ordering can be understood in terms of Onsager theory, the two-dimensional transition can be understood in terms of the liquid-hexatic transition of hard disks. Due to the domination of lateral two-dimensional translational entropy over the one-dimensional translational entropy connected with columnar displacements, the chains form a lamellar phase. Based on this physical understanding, orientational ordering and translational ordering should be separable for polymer melts. A phenomenological theory based on this understanding predicts a qualitative phase diagram as a function of volume fraction and stiffness in good agreement with results from the literature.

Melt/concrete interactions: the Sandia experimental program, model development, and code comparison test

International Nuclear Information System (INIS)

Powers, D.A.; Muir, J.F.

1979-01-01

High temperature melt/concrete interactions have been studied both experimentally and analytically at Sandia under sponsorship of Reactor Safety Research of the US Nuclear Regulatory Commission. The purpose of these studies has been to develop an understanding of these interactions suitable for risk assessment. Results of the experimental program are summarized and a computer model of melt/concrete interactions is described. A melt/concrete interaction test that will allow this and other models of the interaction to be compared is also described

The thermo-elastic instability model of melting of alkali halides in the Debye approximation

Science.gov (United States)

Owens, Frank J.

2018-05-01

The Debye model of lattice vibrations of alkali halides is used to show that there is a temperature below the melting temperature where the vibrational pressure exceeds the electrostatic pressure. The onset temperature of this thermo-elastic instability scales as the melting temperature of NaCl, KCl, and KBr, suggesting its role in the melting of the alkali halides in agreement with a previous more rigorous model.

Modelling and parameterizing the influence of tides on ice-shelf melt rates

Science.gov (United States)

Jourdain, N.; Molines, J. M.; Le Sommer, J.; Mathiot, P.; de Lavergne, C.; Gurvan, M.; Durand, G.

2017-12-01

Significant Antarctic ice sheet thinning is observed in several sectors of Antarctica, in particular in the Amundsen Sea sector, where warm circumpolar deep waters affect basal melting. The later has the potential to trigger marine ice sheet instabilities, with an associated potential for rapid sea level rise. It is therefore crucial to simulate and understand the processes associated with ice-shelf melt rates. In particular, the absence of tides representation in ocean models remains a caveat of numerous ocean hindcasts and climate projections. In the Amundsen Sea, tides are relatively weak and the melt-induced circulation is stronger than the tidal circulation. Using a regional 1/12° ocean model of the Amundsen Sea, we nonetheless find that tides can increase melt rates by up to 36% in some ice-shelf cavities. Among the processes that can possibly affect melt rates, the most important is an increased exchange at the ice/ocean interface resulting from the presence of strong tidal currents along the ice drafts. Approximately a third of this effect is compensated by a decrease in thermal forcing along the ice draft, which is related to an enhanced vertical mixing in the ocean interior in presence of tides. Parameterizing the effect of tides is an alternative to the representation of explicit tides in an ocean model, and has the advantage not to require any filtering of ocean model outputs. We therefore explore different ways to parameterize the effects of tides on ice shelf melt. First, we compare several methods to impose tidal velocities along the ice draft. We show that getting a realistic spatial distribution of tidal velocities in important, and can be deduced from the barotropic velocities of a tide model. Then, we explore several aspects of parameterized tidal mixing to reproduce the tide-induced decrease in thermal forcing along the ice drafts.

Modelling of pulsed electron beam induced graphite ablation: Sublimation versus melting

Science.gov (United States)

Ali, Muddassir; Henda, Redhouane

2017-12-01

Pulsed electron beam ablation (PEBA) has recently emerged as a very promising technique for the deposition of thin films with superior properties. Interaction of the pulsed electron beam with the target material is a complex process, which consists of heating, phase transition, and erosion of a small portion from the target surface. Ablation can be significantly affected by the nature of thermal phenomena taking place at the target surface, with subsequent bearing on the properties, stoichiometry and structure of deposited thin films. A two stage, one-dimensional heat conduction model is presented to describe two different thermal phenomena accounting for interaction of a graphite target with a polyenergetic electron beam. In the first instance, the thermal phenomena are comprised of heating, melting and vaporization of the target surface, while in the second instance the thermal phenomena are described in terms of heating and sublimation of the graphite surface. In this work, the electron beam delivers intense electron pulses of ∼100 ns with energies up to 16 keV and an electric current of ∼400 A to a graphite target. The temperature distribution, surface recession velocity, ablated mass per unit area, and ablation depth for the graphite target are numerically simulated by the finite element method for each case. Based on calculation findings and available experimental data, ablation appears to occur mainly in the regime of melting and vaporization from the surface.

Universal Properties of Many-Body Delocalization Transitions

Directory of Open Access Journals (Sweden)

Andrew C. Potter

2015-09-01

Full Text Available We study the dynamical melting of “hot” one-dimensional many-body localized systems. As disorder is weakened below a critical value, these nonthermal quantum glasses melt via a continuous dynamical phase transition into classical thermal liquids. By accounting for collective resonant tunneling processes, we derive and numerically solve an effective model for such quantum-to-classical transitions and compute their universal critical properties. Notably, the classical thermal liquid exhibits a broad regime of anomalously slow subdiffusive equilibration dynamics and energy transport. The subdiffusive regime is characterized by a continuously evolving dynamical critical exponent that diverges with a universal power at the transition. Our approach elucidates the universal long-distance, low-energy scaling structure of many-body delocalization transitions in one dimension, in a way that is transparently connected to the underlying microscopic physics. We discuss experimentally testable signatures of the predicted scaling properties.

Geotechnical modeling of high-level nuclear waste disposal by rock melting

International Nuclear Information System (INIS)

Heuze, F.E.

1981-12-01

A new strategy has been developed for the geotechnical modeling of nuclear waste disposal by rock melting (DRM). Three seeparate tasks were performed to reach this objective: a review of the four scenarios which have been proposed for DRM, to date; an evaluation of computer-based numerical models which could be used to analyze the mechanical, thermal, and hydraulic processes involved in DRM; and a critical review of rock mass properties which are relevant to the design and safety of waste disposal by rock melting. It is concluded that several geotechnical aspects of DRM can be studied realistically with current state-of-the-art model capabilities and knowledge of material properties. The next step in the feasibility study of DRM should be a best-estimate calculation of the four cavity-melt and canister-burial concepts. These new analyses will indicate the most critical areas for subsequent research

Melting of anisotropic colloidal crystals in two dimensions

International Nuclear Information System (INIS)

Eisenmann, C; Keim, P; Gasser, U; Maret, G

2004-01-01

The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order

Melting of anisotropic colloidal crystals in two dimensions

Science.gov (United States)

Eisenmann, C.; Keim, P.; Gasser, U.; Maret, G.

2004-09-01

The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order.

Heat transfer model and finite element formulation for simulation of selective laser melting

Science.gov (United States)

Roy, Souvik; Juha, Mario; Shephard, Mark S.; Maniatty, Antoinette M.

2017-10-01

A novel approach and finite element formulation for modeling the melting, consolidation, and re-solidification process that occurs in selective laser melting additive manufacturing is presented. Two state variables are introduced to track the phase (melt/solid) and the degree of consolidation (powder/fully dense). The effect of the consolidation on the absorption of the laser energy into the material as it transforms from a porous powder to a dense melt is considered. A Lagrangian finite element formulation, which solves the governing equations on the unconsolidated reference configuration is derived, which naturally considers the effect of the changing geometry as the powder melts without needing to update the simulation domain. The finite element model is implemented into a general-purpose parallel finite element solver. Results are presented comparing to experimental results in the literature for a single laser track with good agreement. Predictions for a spiral laser pattern are also shown.

Modeling of Melting and Resolidification in Domain of Metal Film Subjected to a Laser Pulse

Directory of Open Access Journals (Sweden)

Majchrzak E.

2016-03-01

Full Text Available Thermal processes in domain of thin metal film subjected to a strong laser pulse are discussed. The heating of domain considered causes the melting and next (after the end of beam impact the resolidification of metal superficial layer. The laser action (a time dependent bell-type function is taken into account by the introduction of internal heat source in the energy equation describing the heat transfer in domain of metal film. Taking into account the extremely short duration, extreme temperature gradients and very small geometrical dimensions of the domain considered, the mathematical model of the process is based on the dual phase lag equation supplemented by the suitable boundary-initial conditions. To model the phase transitions the artificial mushy zone is introduced. At the stage of numerical modeling the Control Volume Method is used. The examples of computations are also presented.

FARO tests corium-melt cooling in water pool: Roles of melt superheat and sintering in sediment

Energy Technology Data Exchange (ETDEWEB)

Hwang, Gisuk [Department of Mechanical Engineering, Wichita State University, Wichita, KS 67260 (United States); Kaviany, Massoud [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Moriyama, Kiyofumi [Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Park, Hyun Sun, E-mail: hejsunny@postech.ac.kr [Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Hwang, Byoungcheol; Lee, Mooneon; Kim, Eunho; Park, Jin Ho [Division of Advance Nuclear Engineering, POSTECH, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Nasersharifi, Yahya [Department of Mechanical Engineering, Wichita State University, Wichita, KS 67260 (United States)

2016-08-15

Highlights: • The numerical approach for FARO experimental data is suggested. • The cooling mechanism of ex-vessel corium is suggested. • The predicted minimum pool depth for no cake formation is suggested. - Abstract: The FARO tests have aimed at understanding an important severe accident mitigation action in a light water reactor when the accident progresses from the reactor pressure vessel boundary. These tests have aimed to measure the coolability of a molten core material (corium) gravity dispersed as jet into a water pool, quantifying the loose particle diameter distribution and fraction converted to cake under range of initial melt superheat and pool temperature and depth. Under complete hydrodynamic breakup of corium and consequent sedimentation in the pool, the initially superheated corium can result in debris bed consisting of discrete solid particles (loose debris) and/or a solid cake at the bottom of the pool. The success of the debris bed coolability requires cooling of the cake, and this is controlled by the large internal resistance. We postulate that the corium cake forms when there is a remelting part in the sediment. We show that even though a solid shell forms around the melt particles transiting in the water pool due to film-boiling heat transfer, the superheated melt allows remelting of the large particles in the sediment (depending on the water temperature and the transit time) using the COOLAP (Coolability Analysis with Parametric fuel-cooant interaction models) code. With this remelting and its liquid-phase sintering of the non-remelted particles, we predict the fraction of the melt particles converting to a cake through liquid sintering. Our predictions are in good agreement with the existing results of the FARO experiments. We address only those experiments with pool depths sufficient/exceeding the length required for complete breakup of the molten jet. Our analysis of the fate of molten corium aimed at devising the effective

A rheological model for glassforming silicate melts in the systems CAS, MAS, MCAS

International Nuclear Information System (INIS)

Giordano, Daniele; Russell, J K

2007-01-01

Viscosity is the single most important property governing the efficacy, rates, and nature of melt transport. Viscosity is intimately related to the structure and thermodynamics properties of the melts and is a reflection of the mechanisms of single atoms slipping over potential energy barriers. The ability to predict melt viscosity accurately is, therefore, of critical importance for gaining new insights into the structure of silicate melts. Simple composition melts, having a reduced number of components, offer an advantage for understanding the relationships between the chemical composition, structural organization and the rheological properties of a melt. Here we have compiled a large database of ∼970 experimental measurements of melt viscosity for the simple chemical systems MAS, CAS and MCAS. These data are used to create a single chemical model for predicting the non-Arrhenian viscosity as a function of temperature (T) and composition (X) across the entire MCAS system. The T-dependence of viscosity is accounted for by the three parameters in each of the model functions: (i) Vogel-Fulcher-Tamman (VFT); (ii) Adam-Gibbs (AG); and (iii) Avramov (AV). The literature shows that, in these systems, viscosity converges to a common value of the pre-exponential factors (A) that can be assumed to be independent of composition. The other two adjustable parameters in each equation are expanded to capture the effects of composition. The resulting models are continuous across T-X space. The values and implications of the optimal parameters returned for each model are compared and discussed. A similar approach is likely to be applicable to a variety of non-silicate multicomponent glassforming systems

Retrograde Melting and Internal Liquid Gettering in Silicon

Energy Technology Data Exchange (ETDEWEB)

Hudelson, Steve; Newman, Bonna K.; Bernardis, Sarah; Fenning, David P.; Bertoni, Mariana I.; Marcus, Matthew A.; Fakra, Sirine C.; Lai, Barry; Buonassisi, Tonio

2011-07-01

Retrograde melting (melting upon cooling) is observed in silicon doped with 3d transition metals, via synchrotron-based temperature-dependent X-ray microprobe measurements. Liquid metal-silicon droplets formed via retrograde melting act as efficient sinks for metal impurities dissolved within the silicon matrix. Cooling results in decomposition of the homogeneous liquid phase into solid multiple-metal alloy precipitates. These phenomena represent a novel pathway for engineering impurities in semiconductor-based systems.

MELT-IIIB: an updated version of the melt code

International Nuclear Information System (INIS)

Tabb, K.K.; Lewis, C.H.; O'Dell, L.D.; Padilla, A. Jr.; Smith, D.E.; Wilburn, N.P.

1979-04-01

The MELT series is a reactor modeling code designed to investigate a wide variety of hypothetical accident conditions, particularly the transient overpower sequence. MELT-IIIB is the latest in the series

Electrical conductivity and viscosity of borosilicate glasses and melts

DEFF Research Database (Denmark)

Ehrt, Doris; Keding, Ralf

2009-01-01

, 0 to 62·5 mol% B2O3, and 25 to 85 mol% SiO2. The glass samples were characterised by different methods. Refractive indices, density and thermal expansion were measured. Phase separation effects were investigated by electron microscopy. The electrical conductivity of glasses and melts were determined......Simple sodium borosilicate and silicate glasses were melted on a very large scale (35 l Pt crucible) to prepare model glasses of optical quality in order to investigate various properties depending on their structure. The composition of the glass samples varied in a wide range: 3 to 33·3 mol% Na2O...... by impedance measurements in a wide temperature range (250 to 1450°C). The activation energies were calculated by Arrhenius plots in various temperature regions: below the glass transition temperature, Tg, above the melting point, Tl, and between Tg and Tl. Viscosity measurements were carried out...

Deep and persistent melt layer in the Archaean mantle

Science.gov (United States)

Andrault, Denis; Pesce, Giacomo; Manthilake, Geeth; Monteux, Julien; Bolfan-Casanova, Nathalie; Chantel, Julien; Novella, Davide; Guignot, Nicolas; King, Andrew; Itié, Jean-Paul; Hennet, Louis

2018-02-01

The transition from the Archaean to the Proterozoic eon ended a period of great instability at the Earth's surface. The origin of this transition could be a change in the dynamic regime of the Earth's interior. Here we use laboratory experiments to investigate the solidus of samples representative of the Archaean upper mantle. Our two complementary in situ measurements of the melting curve reveal a solidus that is 200-250 K lower than previously reported at depths higher than about 100 km. Such a lower solidus temperature makes partial melting today easier than previously thought, particularly in the presence of volatiles (H2O and CO2). A lower solidus could also account for the early high production of melts such as komatiites. For an Archaean mantle that was 200-300 K hotter than today, significant melting is expected at depths from 100-150 km to more than 400 km. Thus, a persistent layer of melt may have existed in the Archaean upper mantle. This shell of molten material may have progressively disappeared because of secular cooling of the mantle. Crystallization would have increased the upper mantle viscosity and could have enhanced mechanical coupling between the lithosphere and the asthenosphere. Such a change might explain the transition from surface dynamics dominated by a stagnant lid on the early Earth to modern-like plate tectonics with deep slab subduction.

Melting behaviour of raw materials and recycled stone wool waste

DEFF Research Database (Denmark)

Schultz-Falk, Vickie; Agersted, Karsten; Jensen, Peter Arendt

2018-01-01

Stone wool is a widely used material for building insulation, to provide thermal comfort along with fire stability and acoustic comfort for all types of buildings. Stone wool waste generated either during production or during renovation or demolition of buildings can be recycled back into the sto...... wool melt production. This study investigates and compares the thermal response and melting behaviour of a conventional stone wool charge and stone wool waste. The study combines differential scanning calorimetry (DSC), hot stage microscopy (HSM) and X-ray diffraction (XRD). DSC reveals...... that the conventional charge and stone wool waste have fundamentally different thermal responses, where the charge experiences gas release, phase transition and melting of the individual raw materials. The stone wool waste experiences glass transition, crystallization and finally melting. Both DSC and HSM measurements...

Multiple superconducting transition and phase separation in melt-textured YBa{sub 2}Cu{sub 3}O{sub 7−d}

Energy Technology Data Exchange (ETDEWEB)

Menegotto Costa, R. [Instituto de Matemática, Estatística e Física, Universidade Federal do Rio Grande (FURG), Campus Carreiros, Rio Grande, RS (Brazil); Dias, F.T. [Instituto de Física e Matemática, Universidade Federal de Pelotas (UFPel), Caixa Postal 354, 96010-900 Pelotas, RS (Brazil); Pureur, P., E-mail: ppureur@if.ufrgs.br [Instituto de Física, Universidade Federal do Rio Grande do Sul (UFRGS), Caixa Postal 15051, 91501-970 Porto Alegre, RS (Brazil); Obradors, X. [Institut de Ciéncia de Materials de Barcelona, CSIC, Universitat Autònoma de Barcelona, 08193 Bellaterra (Spain)

2013-12-15

Highlights: •We report on experimental measurements of the temperature derivative of the resistivity in the region encompassing the superconducting transition in melt-textured samples of the YBa{sub 2}Cu{sub 3}O{sub 7−d} cuprate superconductor. •A complex and subtle multi-peak structure is observed in d{ρ}/dT. •We develop a new method to quantitatively describe the resistive transition of a multi-phased superconductor. •The pseudo-spectral structure observed in d{ρ}/dT is ascribed to a phase separation phenomenon driven by the ordering of labile oxygen atoms in the Cu–O chain substructure. -- Abstract: We report on careful measurements of the temperature derivative of the resistivity, dρ/dT, in the region encompassing the superconducting transition of melt-textured samples of the YBa{sub 2}Cu{sub 3}O{sub 7−d} cuprate superconductor. Measurements were carried out in orientations parallel and perpendicular to the Cu − O{sub 2} atomic planes in the presence of small magnetic fields applied parallel to the current orientation. The dρ/dT results reveal the occurrence of complex multi-peak structures that were analyzed with a new method based on the assumption that a simple series association of conductivities is adequate for describing the resistive transition of multiphased superconductors. We ascribe the multi-peak structure observed in the derivative measurements to a subtle and complex phase separation phenomenon leading to the stabilization of domains having slightly different electronic properties that are related to the ordering of labile oxygen atoms in the YBa{sub 2}Cu{sub 3}O{sub 7−d} chain sub-structure.

Transitional region of phase transitions in nuclear models

Energy Technology Data Exchange (ETDEWEB)

Kotze, A A

1988-01-01

The phase transition in an exactly solvable nuclear model, the Lipkin model, is scrutinised, first using Hartree-Fock methods or the plain mean flield approximation, and then using projected wave functions. It turns out that the plain mean field is not reliable in the transitional region. Although the projection methods give better resutls in the transitional region, it leads to spurious singularities. While the energy of the projection before variation is slightly better than its projection after variation counterpart, the perfomance of the wave function is considerably worse in the transitional region. The model's wave function undergoes dramatic changes in the transitional region. The mechanism that brings about these changes is studied within a model Hamiltonian that can reproduce the Lipkin model mathematically. It turns out that the numerous exceptional points found in the transitional region, bring about the change of the ground state wave function. Exceptional points are associated with level crossings in the complex plane. These level crossings can be seen as level repulsions in the spectrum. Level repulsion and a sensitive dependence of the system on some external parameter are characteristics of chaotic behaviour. These two features are found in the transitional region of the Lipkin model. In order to study chaos, one has to resort to a statistical analysis. A measure of the chaotic behaviour of systems, the ..delta../sub 3/ statistic, is introduced. The results show that the Lipkin model is harmonic, even in the transitional region. For the Lipkin model the exceptional points are regularly distributed in the complex plane. In a total chaotic system the points would be randomly distributed.

Modeling and Experimental Validation of the Electron Beam Selective Melting Process

Directory of Open Access Journals (Sweden)

Wentao Yan

2017-10-01

Full Text Available Electron beam selective melting (EBSM is a promising additive manufacturing (AM technology. The EBSM process consists of three major procedures: ① spreading a powder layer, ② preheating to slightly sinter the powder, and ③ selectively melting the powder bed. The highly transient multi-physics phenomena involved in these procedures pose a significant challenge for in situ experimental observation and measurement. To advance the understanding of the physical mechanisms in each procedure, we leverage high-fidelity modeling and post-process experiments. The models resemble the actual fabrication procedures, including ① a powder-spreading model using the discrete element method (DEM, ② a phase field (PF model of powder sintering (solid-state sintering, and ③ a powder-melting (liquid-state sintering model using the finite volume method (FVM. Comprehensive insights into all the major procedures are provided, which have rarely been reported. Preliminary simulation results (including powder particle packing within the powder bed, sintering neck formation between particles, and single-track defects agree qualitatively with experiments, demonstrating the ability to understand the mechanisms and to guide the design and optimization of the experimental setup and manufacturing process.

Transient fuel melting

International Nuclear Information System (INIS)

Roche, L.; Schmitz, F.

1982-10-01

The observation of micrographic documents from fuel after a CABRI test leads to postulate a specific mode of transient fuel melting during a rapid nuclear power excursion. When reaching the melt threshold, the bands which are characteristic for the solid state are broken statistically over a macroscopic region. The time of maintaining the fuel at the critical enthalpy level between solid and liquid is too short to lead to a phase separation. A significant life-time (approximately 1 second) of this intermediate ''unsolide'' state would have consequences on the variation of physical properties linked to the phase transition solid/liquid: viscosity, specific volume and (for the irradiated fuel) fission gas release [fr

Small angle neutron scattering form polymer melts: structural investigation and phase behaviour

International Nuclear Information System (INIS)

Ertugrul, O.

2004-01-01

The Small-Angle Neutron Scattering (SANS) techniques have been used to study the structural properties and phase behavior of polymer melts. A model based on Random Phase Approximation (RPA) is proposed to predict the experimental data. By fitting the model to data we could be able to obtain radius of gyration (a measure of size of a polymer) and phase transition for the sample. (author)

Structural phases arising from reconstructive and isostructural transitions in high-melting-point oxides under hydrostatic pressure: A first-principles study

Science.gov (United States)

Tian, Hao; Kuang, Xiao-Yu; Mao, Ai-Jie; Yang, Yurong; Xu, Changsong; Sayedaghaee, S. Omid; Bellaiche, L.

2018-01-01

High-melting-point oxides of chemical formula A B O3 with A =Ca , Sr, Ba and B =Zr , Hf are investigated as a function of hydrostatic pressure up to 200 GPa by combining first-principles calculations with a particle swarm optimization method. Ca- and Sr-based systems: (1) first undergo a reconstructive phase transition from a perovskite state to a novel structure that belongs to the post-post-perovskite family and (2) then experience an isostructural transition to a second, also new post-post-perovskite state at higher pressures, via the sudden formation of a specific out-of-plane B -O bond. In contrast, the studied Ba compounds evolve from a perovskite phase to a third novel post-post-perovskite structure via another reconstructive phase transition. The original characteristics of these three different post-post-perovskite states are emphasized. Unusual electronic properties, including significant piezochromic effects and an insulator-metal transition, are also reported and explained.

Advances in simulating non-congruent phase transitions of hyperstoichiometric uranium dioxide fuel

International Nuclear Information System (INIS)

Welland, M.J.; Thompson, W.T.; Lewis, B.J.

2007-01-01

A model is being developed to simulate UO 2 at very high temperatures incorporating the effects of non-congruent phase transitions. In particular, the melting transformation and the possible 'Λ-transition' is being investigated to help support the design and analysis of experimental work being conducted as part of nuclear safety research. This work includes the interpretation of the behaviour of operating CANDU fuel under upset conditions, where centerline melting may potentially occur (particularly if the fuel is oxidized). The model presented here numerically solves a system of coupled nonlinear differential equations as derived from fundamental principles. The results of the model present here compare well against laser flash experiments in recently published literature. (author)

Production, pathways and budgets of melts in mid-ocean ridges: An enthalpy based thermo-mechanical model

Science.gov (United States)

Mandal, Nibir; Sarkar, Shamik; Baruah, Amiya; Dutta, Urmi

2018-04-01

Using an enthalpy based thermo-mechanical model we provide a theoretical evaluation of melt production beneath mid-ocean ridges (MORs), and demonstrate how the melts subsequently develop their pathways to sustain the major ridge processes. Our model employs a Darcy idealization of the two-phase (solid-melt) system, accounting enthalpy (ΔH) as a function of temperature dependent liquid fraction (ϕ). Random thermal perturbations imposed in this model set in local convection that drive melts to flow through porosity controlled pathways with a typical mushroom-like 3D structure. We present across- and along-MOR axis model profiles to show the mode of occurrence of melt-rich zones within mushy regions, connected to deeper sources by single or multiple feeders. The upwelling of melts experiences two synchronous processes: 1) solidification-accretion, and 2) eruption, retaining a large melt fraction in the framework of mantle dynamics. Using a bifurcation analysis we determine the threshold condition for melt eruption, and estimate the potential volumes of eruptible melts (∼3.7 × 106 m3/yr) and sub-crustal solidified masses (∼1-8.8 × 106 m3/yr) on an axis length of 500 km. The solidification process far dominates over the eruption process in the initial phase, but declines rapidly on a time scale (t) of 1 Myr. Consequently, the eruption rate takes over the solidification rate, but attains nearly a steady value as t > 1.5 Myr. We finally present a melt budget, where a maximum of ∼5% of the total upwelling melt volume is available for eruption, whereas ∼19% for deeper level solidification; the rest continue to participate in the sub-crustal processes.

How mechanical behavior of glassy polymers enables us to characterize melt deformation: elastic yielding in glassy state after melt stretching?

Science.gov (United States)

Wang, Shi-Qing; Zhao, Zhichen; Tsige, Mesfin; Zheng, Yexin

Fast melt deformation well above the glass transition temperature Tg is known to produce elastic stress in an entangled polymer due to the chain entropy loss at the length scale of the network mesh size. Here chains of high molecular weight are assumed to form an entanglement network so that such a polymer behaves transiently like vulcanized rubber capable of affine deformation. We consider quenching a melt-deformed glassy polymer to well below Tg to preserve the elastic stress. Upon heating such a sample to Tg, the sample can return to the shape it took before melt deformation. This is the basic principle behind the design of all polymer-based shape-memory materials. This work presents intriguing evidence based on both experiment and computer simulation that the chain network, deformed well above Tg, can drive the glassy polymer to undergo elastic yielding. Our experimental systems include polystyrene, poly(methyl methacrylate) and polycarbonate; the molecular dynamics simulation is based on Kremer-Grest bead-spring model. National Science Foundation (DMR-1444859 and DMR-1609977).

Roles of pinning strength and density in vortex melting

International Nuclear Information System (INIS)

Obaidat, I M; Khawaja, U Al; Benkraouda, M

2008-01-01

We have investigated the role of pinning strength and density on the equilibrium vortex-lattice to vortex-liquid phase transition under several applied magnetic fields. This study was conducted using a series of molecular dynamic simulations on several samples with different strengths and densities of pinning sites which are arranged in periodic square arrays. We have found a single solid-liquid vortex transition when the vortex filling factor n>1. We have found that, for fixed pinning densities and strengths, the melting temperature, T m , decreases almost linearly with increasing magnetic field. Our results provide direct numerical evidence for the significant role of both the strength and density of pinning centers on the position of the melting line. We have found that the vortex-lattice to vortex-liquid melting line shifts up as the pinning strength or the pinning density was increased. The effect on the melting line was found to be more pronounced at small values of strength and density of pinning sites

A computational model for viscous fluid flow, heat transfer, and melting in in situ vitrification melt pools

International Nuclear Information System (INIS)

McHugh, P.R.; Ramshaw, J.D.

1991-11-01

MAGMA is a FORTRAN computer code designed to viscous flow in in situ vitrification melt pools. It models three-dimensional, incompressible, viscous flow and heat transfer. The momentum equation is coupled to the temperature field through the buoyancy force terms arising from the Boussinesq approximation. All fluid properties, except density, are assumed variable. Density is assumed constant except in the buoyancy force terms in the momentum equation. A simple melting model based on the enthalpy method allows the study of the melt front progression and latent heat effects. An indirect addressing scheme used in the numerical solution of the momentum equation voids unnecessary calculations in cells devoid of liquid. Two-dimensional calculations can be performed using either rectangular or cylindrical coordinates, while three-dimensional calculations use rectangular coordinates. All derivatives are approximated by finite differences. The incompressible Navier-Stokes equations are solved using a new fully implicit iterative technique, while the energy equation is differenced explicitly in time. Spatial derivatives are written in conservative form using a uniform, rectangular, staggered mesh based on the marker and cell placement of variables. Convective terms are differenced using a weighted average of centered and donor cell differencing to ensure numerical stability. Complete descriptions of MAGMA governing equations, numerics, code structure, and code verification are provided. 14 refs

A computational model for viscous fluid flow, heat transfer, and melting in in situ vitrification melt pools

Energy Technology Data Exchange (ETDEWEB)

McHugh, P.R.; Ramshaw, J.D.

1991-11-01

MAGMA is a FORTRAN computer code designed to viscous flow in in situ vitrification melt pools. It models three-dimensional, incompressible, viscous flow and heat transfer. The momentum equation is coupled to the temperature field through the buoyancy force terms arising from the Boussinesq approximation. All fluid properties, except density, are assumed variable. Density is assumed constant except in the buoyancy force terms in the momentum equation. A simple melting model based on the enthalpy method allows the study of the melt front progression and latent heat effects. An indirect addressing scheme used in the numerical solution of the momentum equation voids unnecessary calculations in cells devoid of liquid. Two-dimensional calculations can be performed using either rectangular or cylindrical coordinates, while three-dimensional calculations use rectangular coordinates. All derivatives are approximated by finite differences. The incompressible Navier-Stokes equations are solved using a new fully implicit iterative technique, while the energy equation is differenced explicitly in time. Spatial derivatives are written in conservative form using a uniform, rectangular, staggered mesh based on the marker and cell placement of variables. Convective terms are differenced using a weighted average of centered and donor cell differencing to ensure numerical stability. Complete descriptions of MAGMA governing equations, numerics, code structure, and code verification are provided. 14 refs.

Aging effects around the glass and melting transitions in poly(dimethylsiloxane) visualized by resistance measurements [erratum in Applied Physics Letters 85 (16) 3638-3638

NARCIS (Netherlands)

Brom, H.B.; Romijn, I.G.; Magis, J.G.; van der Vleuten, M.; Michels, M.A.J.

2004-01-01

The aging effects around the glass and melting transitions in poly(dimethylsiloxane) were investigated. Small amounts of carbon-black (CB) particles were dispersed in a fractal network in nonconducting rubbers for monitoring the structural changes on small length scales due to aging. Long time

Rapakivi texture formation via disequilibrium melting in a contact partial melt zone, Antarctica

Science.gov (United States)

Currier, R. M.

2017-12-01

In the McMurdo Dry Valleys of Antarctica, a Jurassic aged dolerite sill induced partial melting of granite in the shallow crust. The melt zone can be traced in full, from high degrees of melting (>60%) along the dolerite contact, to no apparent signs of melting, 10s of meters above the contact. Within this melt zone, the well-known rapakivi texture is found, arrested in various stages of development. High above the contact, and at low degrees of melting, K-feldspar crystals are slightly rounded and unmantled. In the lower half of the melt zone, mantles of cellular textured plagioclase appear on K-feldspar, and thicken towards the contact heat source. At the highest degrees of melting, cellular-textured plagioclase completely replaces restitic K-feldspar. Because of the complete exposure and intact context, the leading models of rapakivi texture formation can be tested against this system. The previously proposed mechanisms of subisothermal decompression, magma-mixing, and hydrothermal exsolution all fail to adequately describe rapakivi generation in this melt zone. Preferred here is a closed system model that invokes the production of a heterogeneous, disequilibrium melt through rapid heating, followed by calcium and sodium rich melt reacting in a peritectic fashion with restitic K-feldspar crystals. This peritectic reaction results in the production of plagioclase of andesine-oligoclase composition—which is consistent with not just mantles in the melt zone, but globally as well. The thickness of the mantle is diffusion limited, and thus a measure of the diffusive length scale of sodium and calcium over the time scale of melting. Thermal modeling provides a time scale of melting that is consistent with the thickness of observed mantles. Lastly, the distribution of mantled feldspars is highly ordered in this melt zone, but if it were mobilized and homogenized—mixing together cellular plagioclase, mantled feldspars, and unmantled feldspars—the result would be

Experiments and analyses on melt jet impingement during severe accidents

International Nuclear Information System (INIS)

Sehgal, B.R.; Green, J.A.; Dinh, T.N.; Dong, W.

1997-01-01

Relocation of melt from the core region, during a nuclear reactor severe accident, presents the potential for erosion of the reactor pressure vessel (RPV) wall as a result of melt jet impingement. The extent of vessel erosion will depend upon a variety of parameters, including jet diameter, velocity, composition, superheat, angle of inclination, and the presence of an overlying water or melt pool. Experiments have been conducted at the Royal Institute of Technology Division of Nuclear Power Safety (RIT/NPS) which employ a variety of melt and pressure vessel simulant materials, such as water, salt-ice, Cerrobend alloy and molten salt. These experiments have revealed that the erosion depth of the vessel simulant in the jet stagnation zone can be adequately predicted by the Saito correlation, which is based on turbulent heat transfer, while initial erosion rates are seen to be in line with the laminar-stagnation-zone model. A transition between the laminar and turbulent regimes was realized in most cases and is attributed to the roughness of the surface in the eroded cavity formed

A holistic model for the role of the axial melt lens at fast-spreading mid-ocean ridges

Science.gov (United States)

MacLeod, C. J.; Loocke, M. P.; Lissenberg, J. C. J.

2016-12-01

Axial melt lenses (AML) are melt or crystal mush1 bodies located at the dyke-gabbro transition beneath intermediate- and fast-spreading mid-ocean ridges (MORs)2,3. Although it is generally thought that AMLs play a major role in the storage and differentiation of mid-ocean ridge basalts (MORB)1, the melt compositions within the AML and its role in the accretion of the lower crust are heavily debated4-6. Here we present the first comprehensive study of the AML horizon at a fast-spreading MOR (Hess Deep, equatorial Pacific Ocean). We show that plagioclase and pyroxene within the AML are much too evolved to be in equilibrium with MORB, with mean An (54.85) and Mg# (65.01) consistent with derivation from basaltic andesite to andesite melts (Mg# 43-26). We propose that, in between decadal eruptions, the AML is predominantly crystal mush and is fed by small volumes of evolved interstitial melts. Short-lived, focused injection of primitive melt leads to mixing of primitive melts with the extant highly fractionated melt, and triggers eruptions. This model reconciles the paradoxical compositional mismatch between the volcanic and plutonic records with the geophysical characteristics of the AML, the short residence times of Pacific MORB phenocrysts, and the incompatible trace element over-enrichments in MORB. 1Marjanović, M. et al., 2015. Distribution of melt along the East Pacific Rise from 9°30' to 10°N from an amplitude variation with angle of incidence (AVA) technique. Geophys. J. Int. 203. 2Detrick, R. S. et al., 1987. Multi-channel seismic imaging of a crustal magma chamber along the EPR. Nature 326. 3Sinton, J. M. & Detrick, R. S., 1992. Mid-ocean ridge magma chambers. J. Geophys. Res. 97. 4Coogan, L. A., Thompson, G. & MacLeod, C. J., 2002. A textural and geochemical investigation of high level gabbros from the Oman ophiolite: implications for the role of the axial magma chamber at fast-spreading ridges. Lithos 63. 5Pan, Y. & Batiza, R., 2002. Mid-ocean ridge magma

Micro-scale prediction method for API-solubility in polymeric matrices and process model for forming amorphous solid dispersion by hot-melt extrusion.

Science.gov (United States)

Bochmann, Esther S; Neumann, Dirk; Gryczke, Andreas; Wagner, Karl G

2016-10-01

A new predictive micro-scale solubility and process model for amorphous solid dispersions (ASDs) by hot-melt extrusion (HME) is presented. It is based on DSC measurements consisting of an annealing step and a subsequent analysis of the glass transition temperature (Tg). The application of a complex mathematical model (BCKV-equation) to describe the dependency of Tg on the active pharmaceutical ingredient (API)/polymer ratio, enables the prediction of API solubility at ambient conditions (25°C). Furthermore, estimation of the minimal processing temperature for forming ASDs during HME trials could be defined and was additionally confirmed by X-ray powder diffraction data. The suitability of the DSC method was confirmed with melt rheological trials (small amplitude oscillatory system). As an example, ball milled physical mixtures of dipyridamole, indomethacin, itraconazole and nifedipine in poly(vinylpyrrolidone-co-vinylacetate) (copovidone) and polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol graft copolymer (Soluplus®) were used. Copyright © 2016 Elsevier B.V. All rights reserved.

Photoinduced charge-order melting dynamics in a one-dimensional interacting Holstein model

Science.gov (United States)

Hashimoto, Hiroshi; Ishihara, Sumio

2017-07-01

Transient quantum dynamics in an interacting fermion-phonon system are investigated with a focus on a charge order (CO) melting after a short optical-pulse irradiation and the roles of the quantum phonons in the transient dynamics. A spinless-fermion model in a one-dimensional chain coupled with local phonons is analyzed numerically. The infinite time-evolving block decimation algorithm is adopted as a reliable numerical method for one-dimensional quantum many-body systems. Numerical results for the photoinduced CO melting dynamics without phonons are well interpreted by the soliton picture for the CO domains. This interpretation is confirmed by numerical simulation of an artificial local excitation and the classical soliton model. In the case of large phonon frequencies corresponding to the antiadiabatic condition, CO melting is induced by propagations of the polaronic solitons with the renormalized soliton velocity. On the other hand, in the case of small phonon frequencies corresponding to the adiabatic condition, the first stage of the CO melting dynamics occurs due to the energy transfer from the fermionic to phononic systems, and the second stage is brought about by the soliton motions around the bottom of the soliton band. The analyses provide a standard reference for photoinduced CO melting dynamics in one-dimensional many-body quantum systems.

Numerical Model based Reliability Estimation of Selective Laser Melting Process

DEFF Research Database (Denmark)

Mohanty, Sankhya; Hattel, Jesper Henri

2014-01-01

Selective laser melting is developing into a standard manufacturing technology with applications in various sectors. However, the process is still far from being at par with conventional processes such as welding and casting, the primary reason of which is the unreliability of the process. While...... of the selective laser melting process. A validated 3D finite-volume alternating-direction-implicit numerical technique is used to model the selective laser melting process, and is calibrated against results from single track formation experiments. Correlation coefficients are determined for process input...... parameters such as laser power, speed, beam profile, etc. Subsequently, uncertainties in the processing parameters are utilized to predict a range for the various outputs, using a Monte Carlo method based uncertainty analysis methodology, and the reliability of the process is established....

Shear melting and high temperature embrittlement: theory and application to machining titanium.

Science.gov (United States)

Healy, Con; Koch, Sascha; Siemers, Carsten; Mukherji, Debashis; Ackland, Graeme J

2015-04-24

We describe a dynamical phase transition occurring within a shear band at high temperature and under extremely high shear rates. With increasing temperature, dislocation deformation and grain boundary sliding are supplanted by amorphization in a highly localized nanoscale band, which allows for massive strain and fracture. The mechanism is similar to shear melting and leads to liquid metal embrittlement at high temperature. From simulation, we find that the necessary conditions are lack of dislocation slip systems, low thermal conduction, and temperature near the melting point. The first two are exhibited by bcc titanium alloys, and we show that the final one can be achieved experimentally by adding low-melting-point elements: specifically, we use insoluble rare earth metals (REMs). Under high shear, the REM becomes mixed with the titanium, lowering the melting point within the shear band and triggering the shear-melting transition. This in turn generates heat which remains localized in the shear band due to poor heat conduction. The material fractures along the shear band. We show how to utilize this transition in the creation of new titanium-based alloys with improved machinability.

Using mathematical modeling to control topographical properties of poly (ε-caprolactone) melt electrospun scaffolds

International Nuclear Information System (INIS)

Ko, J; Bhullar, S K; Mohtaram, N K; Willerth, S M; Jun, M B G

2014-01-01

Melt electrospinning creates fibrous scaffolds using direct deposition. The main challenge of melt electrospinning is controlling the topography of the scaffolds for tissue engineering applications. Mathematical modeling enables a better understanding of the parameters that determine the topography of scaffolds. The objective of this study is to build two types of mathematical models. First, we modeled the melt electrospinning process by incorporating parameters such as nozzle size, counter electrode distance and applied voltage that influence fiber diameter and scaffold porosity. Our second model describes the accumulation of the extruded microfibers on flat and round surfaces using data from the microfiber modeling. These models were validated through the use of experimentally obtained data. Scanning electron microscopy (SEM) was used to image the scaffolds and the fiber diameters were measured using Quartz-PCI Image Management Systems® in SEM to measure scaffold porosity. (paper)

Validating predictions made by a thermo-mechanical model of melt segregation in sub-volcanic systems

Science.gov (United States)

Roele, Katarina; Jackson, Matthew; Morgan, Joanna

2014-05-01

A quantitative understanding of the spatial and temporal evolution of melt distribution in the crust is crucial in providing insights into the development of sub-volcanic crustal stratigraphy and composition. This work aims to relate numerical models that describe the base of volcanic systems with geophysical observations. Recent modelling has shown that the repetitive emplacement of mantle-derived basaltic sills, at the base of the lower crust, acts as a heat source for anatectic melt generation, buoyancy-driven melt segregation and mobilisation. These processes form the lowermost architecture of complex sub-volcanic networks as upward migrating melt produces high melt fraction layers. These 'porosity waves' are separated by zones with high compaction rates and have distinctive polybaric chemical signatures that suggest mixed crust and mantle origins. A thermo-mechanical model produced by Solano et al in 2012 has been used to predict the temperatures and melt fractions of successive high porosity layers within the crust. This model was used as it accounts for the dynamic evolution of melt during segregation and migration through the crust; a significant process that has been neglected in previous models. The results were used to input starting compositions for each of the layers into the rhyolite-MELTS thermodynamic simulation. MELTS then determined the approximate bulk composition of the layers once they had cooled and solidified. The mean seismic wave velocities of the polymineralic layers were then calculated using the relevant Voight-Reuss-Hill mixture rules, whilst accounting for the pressure and temperature dependence of seismic wave velocity. The predicted results were then compared with real examples of reflectivity for areas including the UK, where lower crustal layering is observed. A comparison between the impedance contrasts at compositional boundaries is presented as it confirms the extent to which modelling is able to make predictions that are

Development and assessment of modular models of calculation for the interpretation of rod-melting experiments

International Nuclear Information System (INIS)

Tuerk, W.

1980-01-01

By the example of recalculations of rod-melting experiment it is shown how a modular simulation model for complex systems can be formulated within the scope of RSYST1. The procedure of code development as well as the physical and numerical methods and approximations of the simulation model are described. To each important physical process a code module is assigned. The individual moduls describe heat production, rod heat-up, rod oxidation, rod environment, rod deformation by thermal expansion and can buckling, melting of the rod, rod failure, and flowing off of the melted mass. A comparison of the results for the overall model with the result of different experiments indicates that the phenomena during heat-up and melting of the rod are treated in agreement with the experiments. The results of the calculation model and its submodels are thus largely supported by experiments. Therefore further predictions with a high level of confidence can be made with the model within the scope of reactor safety research. (orig.) [de

Relaxation processes and glass transition of confined polymer melts: A molecular dynamics simulation of 1,4-polybutadiene between graphite walls.

Science.gov (United States)

Solar, M; Binder, K; Paul, W

2017-05-28

Molecular dynamics simulations of a chemically realistic model for 1,4-polybutadiene in a thin film geometry confined by two graphite walls are presented. Previous work on melts in the bulk has shown that the model faithfully reproduces static and dynamic properties of the real material over a wide temperature range. The present work studies how these properties change due to nano-confinement. The focus is on orientational correlations observable in nuclear magnetic resonance experiments and on the local intermediate incoherent neutron scattering function, F s (q z , z, t), for distances z from the graphite walls in the range of a few nanometers. Temperatures from about 2T g down to about 1.15T g , where T g is the glass transition temperature in the bulk, are studied. It is shown that weakly attractive forces between the wall atoms and the monomers suffice to effectively bind a polymer coil that is near the wall. For a wide regime of temperatures, the Arrhenius-like adsorption/desorption kinetics of the monomers is the slowest process, while very close to T g the Vogel-Fulcher-Tammann-like α-relaxation takes over. The α-process is modified only for z≤1.2 nm due to the density changes near the walls, less than expected from studies of coarse-grained (bead-spring-type) models. The weakness of the surface effects on the glass transition in this case is attributed to the interplay of density changes near the wall with the torsional potential. A brief discussion of pertinent experiments is given.

The transitional region of phase transitions in nuclear models

International Nuclear Information System (INIS)

Kotze, A.A.

1988-01-01

The phase transition in an exactly solvable nuclear model, the Lipkin model, is scrutinised, first using Hartree-Fock methods or the plain mean flield approximation, and then using projected wave functions. It turns out that the plain mean field is not reliable in the transitional region. Although the projection methods give better resutls in the transitional region, it leads to spurious singularities. While the energy of the projection before variation is slightly better than its projection after variation counterpart, the perfomance of the wave function is considerably worse in the transitional region. The model's wave function undergoes dramatic changes in the transitional region. The mechanism that brings about these changes is studied within a model Hamiltonian that can reproduce the Lipkin model mathematically. It turns out that the numerous exceptional points found in the transitional region, bring about the change of the ground state wave function. Exceptional points are associated with level crossings in the complex plane. These level crossings can be seen as level repulsions in the spectrum. Level repulsion and a sensitive dependence of the system on some external parameter are characteristics of chaotic behaviour. These two features are found in the transitional region of the Lipkin model. In order to study chaos, one has to resort to a statistical analysis. A measure of the chaotic behaviour of systems, the Δ 3 statistic, is introduced. The results show that the Lipkin model is harmonic, even in the transitional region. For the Lipkin model the exceptional points are regularly distributed in the complex plane. In a total chaotic system the points would be randomly distributed

LANGEVIN DYNAMICS OF THE TWO STAGE MELTING TRANSITION OF VORTEX MATTER IN Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} IN THE PRESENCE OF STRAIGHT AND OF TILTED COLUMNAR DEFECTS

Energy Technology Data Exchange (ETDEWEB)

GOLDSCHMIDT, YADIN Y.; LIU, Jin-Tao

2007-08-07

In this paper we use London Langevin molecular dynamics simulations to investigate the vortex matter melting transition in the highly anisotropic high-temperature superconductor material Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} in the presence of low concentration of columnar defects (CDs). We reproduce with further details our previous results obtained by using Multilevel Monte Carlo simulations that showed that the melting of the nanocrystalline vortex matter occurs in two stages: a first stage melting into nanoliquid vortex matter and a second stage delocalization transition into a homogeneous liquid. Furthermore, we report on new dynamical measurements in the presence of a current that identifies clearly the irreversibility line and the second stage delocalization transition. In addition to CDs aligned along the c-axis we also simulate the case of tilted CDs which are aligned at an angle with respect to the applied magnetic field. Results for CDs tilted by 45{degree} with respect to c-axis show that the locations of the melting and delocalization transitions are not affected by the tilt when the ratio of flux lines to CDs remains constant. On the other hand we argue that some dynamical properties and in particular the position of the irreversibility line should be affected.

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

International Nuclear Information System (INIS)

Omar, M.S.

2012-01-01

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å 3 for bulk to 57 Å 3 for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10 −6 K −1 for a bulk crystal down to a minimum value of 0.1 × 10 −6 K −1 for a 6 nm diameter nanoparticle.

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

Energy Technology Data Exchange (ETDEWEB)

Omar, M.S., E-mail: dr_m_s_omar@yahoo.com [Department of Physics, College of Science, University of Salahaddin-Erbil, Arbil, Kurdistan (Iraq)

2012-11-15

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

A simple model for the evolution of melt pond coverage on permeable Arctic sea ice

Science.gov (United States)

Popović, Predrag; Abbot, Dorian

2017-05-01

As the melt season progresses, sea ice in the Arctic often becomes permeable enough to allow for nearly complete drainage of meltwater that has collected on the ice surface. Melt ponds that remain after drainage are hydraulically connected to the ocean and correspond to regions of sea ice whose surface is below sea level. We present a simple model for the evolution of melt pond coverage on such permeable sea ice floes in which we allow for spatially varying ice melt rates and assume the whole floe is in hydrostatic balance. The model is represented by two simple ordinary differential equations, where the rate of change of pond coverage depends on the pond coverage. All the physical parameters of the system are summarized by four strengths that control the relative importance of the terms in the equations. The model both fits observations and allows us to understand the behavior of melt ponds in a way that is often not possible with more complex models. Examples of insights we can gain from the model are that (1) the pond growth rate is more sensitive to changes in bare sea ice albedo than changes in pond albedo, (2) ponds grow slower on smoother ice, and (3) ponds respond strongest to freeboard sinking on first-year ice and sidewall melting on multiyear ice. We also show that under a global warming scenario, pond coverage would increase, decreasing the overall ice albedo and leading to ice thinning that is likely comparable to thinning due to direct forcing. Since melt pond coverage is one of the key parameters controlling the albedo of sea ice, understanding the mechanisms that control the distribution of pond coverage will help improve large-scale model parameterizations and sea ice forecasts in a warming climate.

Computationally efficient thermal-mechanical modelling of selective laser melting

NARCIS (Netherlands)

Yang, Y.; Ayas, C.; Brabazon, Dermot; Naher, Sumsun; Ul Ahad, Inam

2017-01-01

The Selective laser melting (SLM) is a powder based additive manufacturing (AM) method to produce high density metal parts with complex topology. However, part distortions and accompanying residual stresses deteriorates the mechanical reliability of SLM products. Modelling of the SLM process is

Modeling of heat and mass transfer processes during core melt discharge from a reactor pressure vessel

Energy Technology Data Exchange (ETDEWEB)

Dinh, T.N.; Bui, V.A.; Nourgaliev, R.R. [Royal Institute of Technology, Stockholm (Sweden)] [and others

1995-09-01

The objective of the paper is to study heat and mass transfer processes related to core melt discharge from a reactor vessel is a severe light water reactor accident. The phenomenology of the issue includes (1) melt convection in and heat transfer from the melt pool in contact with the vessel lower head wall; (2) fluid dynamics and heat transfer of the melt flow in the growing discharge hole; and (3) multi-dimensional heat conduction in the ablating lower head wall. A program of model development, validation and application is underway (i) to analyse the dominant physical mechanisms determining characteristics of the lower head ablation process; (ii) to develop and validate efficient analytic/computational methods for estimating heat and mass transfer under phase-change conditions in irregular moving-boundary domains; and (iii) to investigate numerically the melt discharge phenomena in a reactor-scale situation, and, in particular, the sensitivity of the melt discharge transient to structural differences and various in-vessel melt progression scenarios. The paper presents recent results of the analysis and model development work supporting the simulant melt-structure interaction experiments.

What Models and Satellites Tell Us (and Don't Tell Us) About Arctic Sea Ice Melt Season Length

Science.gov (United States)

Ahlert, A.; Jahn, A.

2017-12-01

Melt season length—the difference between the sea ice melt onset date and the sea ice freeze onset date—plays an important role in the radiation balance of the Arctic and the predictability of the sea ice cover. However, there are multiple possible definitions for sea ice melt and freeze onset in climate models, and none of them exactly correspond to the remote sensing definition. Using the CESM Large Ensemble model simulations, we show how this mismatch between model and remote sensing definitions of melt and freeze onset limits the utility of melt season remote sensing data for bias detection in models. It also opens up new questions about the precise physical meaning of the melt season remote sensing data. Despite these challenges, we find that the increase in melt season length in the CESM is not as large as that derived from remote sensing data, even when we account for internal variability and different definitions. At the same time, we find that the CESM ensemble members that have the largest trend in sea ice extent over the period 1979-2014 also have the largest melt season trend, driven primarily by the trend towards later freeze onsets. This might be an indication that an underestimation of the melt season length trend is one factor contributing to the generally underestimated sea ice loss within the CESM, and potentially climate models in general.

Modelling snow accumulation and snow melt in a continuous hydrological model for real-time flood forecasting

International Nuclear Information System (INIS)

Stanzel, Ph; Haberl, U; Nachtnebel, H P

2008-01-01

Hydrological models for flood forecasting in Alpine basins need accurate representation of snow accumulation and snow melt processes. A continuous, semi-distributed rainfall-runoff model with snow modelling procedures using only precipitation and temperature as input is presented. Simulation results from an application in an Alpine Danube tributary watershed are shown and evaluated with snow depth measurements and MODIS remote sensing snow cover information. Seasonal variations of runoff due to snow melt were simulated accurately. Evaluation of simulated snow depth and snow covered area showed strengths and limitations of the model and allowed an assessment of input data quality. MODIS snow cover images were found to be valuable sources of information for hydrological modelling in alpine areas, where ground observations are scarce.

Modelling snow accumulation and snow melt in a continuous hydrological model for real-time flood forecasting

Energy Technology Data Exchange (ETDEWEB)

Stanzel, Ph; Haberl, U; Nachtnebel, H P [Institute of Water Management, Hydrology and Hydraulic Engineering, University of Natural Resources and Applied Life Sciences, Muthgasse 18, 1190 Vienna (Austria)], E-mail: philipp.stanzel@boku.ac.at

2008-11-01

Hydrological models for flood forecasting in Alpine basins need accurate representation of snow accumulation and snow melt processes. A continuous, semi-distributed rainfall-runoff model with snow modelling procedures using only precipitation and temperature as input is presented. Simulation results from an application in an Alpine Danube tributary watershed are shown and evaluated with snow depth measurements and MODIS remote sensing snow cover information. Seasonal variations of runoff due to snow melt were simulated accurately. Evaluation of simulated snow depth and snow covered area showed strengths and limitations of the model and allowed an assessment of input data quality. MODIS snow cover images were found to be valuable sources of information for hydrological modelling in alpine areas, where ground observations are scarce.

Role of the heat capacity change in understanding and modeling melting thermodynamics of complementary duplexes containing standard and nucleobase-modified LNA.

Science.gov (United States)

Hughesman, Curtis B; Turner, Robin F B; Haynes, Charles A

2011-06-14

Melting thermodynamic data obtained by differential scanning calorimetry (DSC) are reported for 43 duplexed oligonucleotides containing one or more locked nucleic acid (LNA) substitutions. The measured heat capacity change (ΔC(p)) for the helix-to-coil transition is used to compute the changes in enthalpy and entropy for melting of an LNA-bearing duplex at the T(m) of its corresponding isosequential unmodified DNA duplex to allow rigorous thermodynamic analysis of the stability enhancements provided by LNA substitutions. Contrary to previous studies, our analysis shows that the origin of the improved stability is almost exclusively a net reduction (ΔΔS° thermodynamics and the increased melting temperature (ΔT(m)) of heteroduplexes formed between an unmodified DNA strand and a complementary strand containing any number and configuration of standard LNA nucleotides A, T, C, and G. This single-base thermodynamic (SBT) model requires only four entropy-related parameters in addition to ΔC(p). Finally, DSC data for 20 duplexes containing the nucleobase-modified LNAs 2-aminoadenine (D) and 2-thiothymine (H) are reported and used to determine SBT model parameters for D and H. The data and model suggest that along with the greater stability enhancement provided by D and H bases relative to their corresponding A and T analogues, the unique pseudocomplementary properties of D-H base pairs may make their use appealing for in vitro and in vivo applications.

Proposed model for fuel-coolant mixing during a core-melt accident

International Nuclear Information System (INIS)

Corradini, M.L.

1983-01-01

If complete failure of normal and emergency coolant flow occurs in a light water reactor, fission product decay heat would eventually cause melting of the reactor fuel and cladding. The core melt may then slump into the lower plenum and later into the reactor cavity and contact residual liquid water. A model is proposed to describe the fuel-coolant mixing process upon contact. The model is compared to intermediate scale experiments being conducted at Sandia. The modelling of this mixing process will aid in understanding three important processes: (1) fuel debris sizes upon quenching in water, (2) the hydrogen source term during fuel quench, and (3) the rate of steam production. Additional observations of Sandia data indicate that the steam explosion is affected by this mixing process

Electrical resistivity discontinuity of iron along the melting curve

Science.gov (United States)

Wagle, Fabian; Steinle-Neumann, Gerd

2018-04-01

Discontinuous changes of electrical resistivity ρel (increase), density ϱ and isothermal compressibility βT (decrease) occur across the melting temperature of metals and can be directly related by Ziman's theory in the long-wavelength approximation. By evaluating experimental data at ambient pressure, we show that Ziman's approximation holds for iron and other simple and transition metals. Using a thermodynamic model to determine βT for γ-, ɛ- and liquid Fe and a previously published model for ρel of liquid Fe, we apply Ziman's approximation to calculate ρel of solid Fe along the melting curve. For pure Fe, we find the discontinuity in ρel to decrease with pressure and to be negligibly small at inner core boundary conditions. However, if we account for light element enrichment in the liquid outer core, the electrical resistivity decrease across the inner core boundary is predicted to be as large as 36 per cent.

Onset and end of the summer melt season over sea ice: thermal structure and surface energy perspective from SHEBA

Energy Technology Data Exchange (ETDEWEB)

Persson, P.O.G. [University of Colorado, Cooperative Institute for Research in Environmental Sciences (CIRES), Boulder, CO (United States); National Oceanic and Atmospheric Administration/Earth Systems Research Laboratory, Physical Sciences Division (NOAA/ESRL/PSD), Boulder, CO (United States)

2012-09-15

Various measurements from the Surface Heat Flux of the Arctic Ocean (SHEBA) experiment have been combined to study structures and processes producing the onset and end of summer melt over Arctic sea ice. The analysis links the surface energy budget to free-troposphere synoptic variables, clouds, precipitation, and in-ice temperatures. The key results are (1) SHEBA melt-season transitions are associated with atmospheric synoptic events (2) onset of melt clearly occurs on May 28, while the end of melt is produced by a sequence of three atmospheric storm events over a 28-day period producing step-like reductions in the net surface energy flux. The last one occurs on August 22.; (3) melt onset is primarily due to large increases in the downwelling longwave radiation and modest decreases in the surface albedo; (4) decreases in the downwelling longwave radiation occur for all end-of-melt transition steps, while increases in surface albedo occur for the first two; (5) decreases in downwelling shortwave radiation contribute only to the first end-of-melt transition step; (6) springtime free-tropospheric warming preconditions the atmosphere-ice system for the subsequent melt onset; and (7) melt-season transitions also mark transitions in system responses to radiative energy flux changes because of invariant melt-season surface temperatures. The extensive SHEBA observations enable an understanding of the complex processes not available from other field program data. The analysis provides a basis for future testing of the generality of the results, and contributes to better physical understanding of multi-year analyses of melt-season trends from less extensive data sets. (orig.)

A Dynamic Mesh-Based Approach to Model Melting and Shape of an ESR Electrode

Science.gov (United States)

Karimi-Sibaki, E.; Kharicha, A.; Bohacek, J.; Wu, M.; Ludwig, A.

2015-10-01

This paper presents a numerical method to investigate the shape of tip and melt rate of an electrode during electroslag remelting process. The interactions between flow, temperature, and electromagnetic fields are taken into account. A dynamic mesh-based approach is employed to model the dynamic formation of the shape of electrode tip. The effect of slag properties such as thermal and electrical conductivities on the melt rate and electrode immersion depth is discussed. The thermal conductivity of slag has a dominant influence on the heat transfer in the system, hence on melt rate of electrode. The melt rate decreases with increasing thermal conductivity of slag. The electrical conductivity of slag governs the electric current path that in turn influences flow and temperature fields. The melting of electrode is a quite unstable process due to the complex interaction between the melt rate, immersion depth, and shape of electrode tip. Therefore, a numerical adaptation of electrode position in the slag has been implemented in order to achieve steady state melting. In fact, the melt rate, immersion depth, and shape of electrode tip are interdependent parameters of process. The generated power in the system is found to be dependent on both immersion depth and shape of electrode tip. In other words, the same amount of power was generated for the systems where the shapes of tip and immersion depth were different. Furthermore, it was observed that the shape of electrode tip is very similar for the systems running with the same ratio of power generation to melt rate. Comparison between simulations and experimental results was made to verify the numerical model.

Modeling of evaporation processes in glass melting furnaces

NARCIS (Netherlands)

Limpt, van J.A.C.

2007-01-01

The majority of glass furnaces worldwide, apply fossil fuel combustion to transfer heat directly by radiation from the combustion processes to the melting batch and glass melt. During these high temperature melting processes, some glass components, such as: sodium, potassium, boron and lead species

Erythritol: crystal growth from the melt.

Science.gov (United States)

Lopes Jesus, A J; Nunes, Sandra C C; Ramos Silva, M; Matos Beja, A; Redinha, J S

2010-03-30

The structural changes occurring on erythritol as it is cooled from the melt to low temperature, and then heated up to the melting point have been investigated by differential scanning calorimetry (DSC), polarized light thermal microscopy (PLTM), X-ray powder diffraction (PXRD) and Fourier transform infrared spectroscopy (FTIR). By DSC, it was possible to set up the conditions to obtain an amorphous solid, a crystalline solid, or a mixture of both materials in different proportions. Two crystalline forms have been identified: a stable and a metastable one with melting points of 117 and 104 degrees C, respectively. The fusion curve decomposition of the stable form revealed the existence of three conformational structures. The main paths of the crystallization from the melt were followed by PLTM. The texture and colour changes allowed the characterization of the different phases and transitions in which they are involved on cooling as well as on heating processes. The type of crystallization front and its velocity were also followed by microscopic observation. These observations, together with the data provided by PXRD, allowed elucidating the transition of the metastable form into the stable one. The structural changes occurring upon the cooling and subsequent heating processes, namely those arising from intermolecular hydrogen bonds, were also accompanied by infrared spectroscopy. Particular attention was given to the spectral changes occurring in the OH stretching region. Copyright (c) 2009 Elsevier B.V. All rights reserved.

On the influence of debris in glacier melt modelling: a new temperature-index model accounting for the debris thickness feedback

Science.gov (United States)

Carenzo, Marco; Mabillard, Johan; Pellicciotti, Francesca; Reid, Tim; Brock, Ben; Burlando, Paolo

2013-04-01

The increase of rockfalls from the surrounding slopes and of englacial melt-out material has led to an increase of the debris cover extent on Alpine glaciers. In recent years, distributed debris energy-balance models have been developed to account for the melt rate enhancing/reduction due to a thin/thick debris layer, respectively. However, such models require a large amount of input data that are not often available, especially in remote mountain areas such as the Himalaya. Some of the input data such as wind or temperature are also of difficult extrapolation from station measurements. Due to their lower data requirement, empirical models have been used in glacier melt modelling. However, they generally simplify the debris effect by using a single melt-reduction factor which does not account for the influence of debris thickness on melt. In this paper, we present a new temperature-index model accounting for the debris thickness feedback in the computation of melt rates at the debris-ice interface. The empirical parameters (temperature factor, shortwave radiation factor, and lag factor accounting for the energy transfer through the debris layer) are optimized at the point scale for several debris thicknesses against melt rates simulated by a physically-based debris energy balance model. The latter has been validated against ablation stake readings and surface temperature measurements. Each parameter is then related to a plausible set of debris thickness values to provide a general and transferable parameterization. The new model is developed on Miage Glacier, Italy, a debris cover glacier in which the ablation area is mantled in near-continuous layer of rock. Subsequently, its transferability is tested on Haut Glacier d'Arolla, Switzerland, where debris is thinner and its extension has been seen to expand in the last decades. The results show that the performance of the new debris temperature-index model (DETI) in simulating the glacier melt rate at the point scale

String-like cooperative motion in homogeneous melting.

Science.gov (United States)

Zhang, Hao; Khalkhali, Mohammad; Liu, Qingxia; Douglas, Jack F

2013-03-28

Despite the fundamental nature and practical importance of melting, there is still no generally accepted theory of this ubiquitous phenomenon. Even the earliest simulations of melting of hard discs by Alder and Wainwright indicated the active role of collective atomic motion in melting and here we utilize molecular dynamics simulation to determine whether these correlated motions are similar to those found in recent studies of glass-forming (GF) liquids and other condensed, strongly interacting, particle systems. We indeed find string-like collective atomic motion in our simulations of "superheated" Ni crystals, but other observations indicate significant differences from GF liquids. For example, we observe neither stretched exponential structural relaxation, nor any decoupling phenomenon, while we do find a boson peak, findings that have strong implications for understanding the physical origin of these universal properties of GF liquids. Our simulations also provide a novel view of "homogeneous" melting in which a small concentration of interstitial defects exerts a powerful effect on the crystal stability through their initiation and propagation of collective atomic motion. These relatively rare point defects are found to propagate down the strings like solitons, driving the collective motion. Crystal integrity remains preserved when the permutational atomic motions take the form of ring-like atomic exchanges, but a topological transition occurs at higher temperatures where the rings open to form linear chains similar in geometrical form and length distribution to the strings of GF liquids. The local symmetry breaking effect of the open strings apparently destabilizes the local lattice structure and precipitates crystal melting. The crystal defects are thus not static entities under dynamic conditions, such as elevated temperatures or material loading, but rather are active agents exhibiting a rich nonlinear dynamics that is not addressed in conventional "static

Melting relations of model lherzolite in the system CaO-MgO-Al2O3-SiO2 at 2.4-3.4 GPa and the generation of komatiites

Science.gov (United States)

Gudfinnsson, Gudmundur H.; Presnall, Dean C.

1996-12-01

Isobarically invariant phase relations in the CaO-MgO-Al2O3-SiO2 system (CMAS) involving the lherzolite phase assemblage in equilibrium with liquid have been determined at 2.4-3.4 GPa. These phase relations form the solidus of model lherzolite in the CMAS system. Our data, which include determinations of all phase compositions, are in excellent agreement with the 3.0 and 4.0 GPa points of Milholland and Presnall [1991] and Davis and Schairer [1965], respectively. The invariant transition on the P-T solidus curve from spinel- to garnet-lherzolite at 3.0 GPa, 1575°C [Milholland and Presnall, 1991], is confirmed, but we observe that the theoretically required temperature depression on the solidus curve at this point is not experimentally detectable. Composition trends along the solidus take a sharp turn at the transition. In the spinel-lherzolite stability field, melt compositions become increasingly Fo-normative and less En-normative with increasing pressure, but become less Fo-normative and more pyroxenitic as pressure increases in the garnet-lherzolite stability field. Calculated melting reactions indicate that forsterite is in reaction relationship with the melt up to 3.0 GPa. Orthopyroxene is also in reaction relationship at pressures higher than just over 2.8 GPa and is the only phase in reaction relationship with the melt in the garnet-lherzolite stability field. Comparison of the normative compositions and the CaO/Al2O3 values of the komatiites of Gorgona Island and of the Reliance Formation in Zimbabwe with the compositions of liquids along the solidus of model lherzolite in the CMAS system indicates that the former komatiites were generated at pressures close to 3.7 GPa and the latter at close to 4.5 GPa, assuming that the melt generation occurred in the presence of the complete garnet-lherzolite assemblage.

Kinetic approach in numerical modeling of melting and crystallization at laser cladding with powder injection

Energy Technology Data Exchange (ETDEWEB)

Mirzade, F. Kh., E-mail: fmirzade@rambler.ru [Institute on Laser and Information Technology, Russian Academy of Sciences, 1 Svyatoozerskaya Street, Shatura, Moscow Region 140700 (Russian Federation); Niziev, V.G.; Panchenko, V. Ya.; Khomenko, M.D.; Grishaev, R.V. [Institute on Laser and Information Technology, Russian Academy of Sciences, 1 Svyatoozerskaya Street, Shatura, Moscow Region 140700 (Russian Federation); Pityana, S.; Rooyen, Corney van [CSIR-National Laser Centre, Building 46A, Meiring Nauder Road, Brummeria, Pretoria (South Africa)

2013-08-15

The numerical model of laser cladding with coaxial powder injection includes the equations for heat transfer, melting and crystallization kinetics. It has been shown that the main parameters influencing the melt pool dynamics and medium maximum temperature are mass feed rate, laser power and scanning velocity. It has been observed that, due to the phase change occurring with superheating/undercooling, the melt zone has the boundary distinguished from melting isotherm. The calculated melt pool dimensions and dilution are in a good agreement with the experimental results for cladding of 431 martensitic stainless steel onto carbon steel substrate.

Silicate melts density, buoyancy relations and the dynamics of magmatic processes in the upper mantle

Science.gov (United States)

Sanchez-Valle, Carmen; Malfait, Wim J.

2016-04-01

Although silicate melts comprise only a minor volume fraction of the present day Earth, they play a critical role on the Earth's geochemical and geodynamical evolution. Their physical properties, namely the density, are a key control on many magmatic processes, including magma chamber dynamics and volcanic eruptions, melt extraction from residual rocks during partial melting, as well as crystal settling and melt migration. However, the quantitative modeling of these processes has been long limited by the scarcity of data on the density and compressibility of volatile-bearing silicate melts at relevant pressure and temperature conditions. In the last decade, new experimental designs namely combining large volume presses and synchrotron-based techniques have opened the possibility for determining in situ the density of a wide range of dry and volatile-bearing (H2O and CO2) silicate melt compositions at high pressure-high temperature conditions. In this contribution we will illustrate some of these progresses with focus on recent results on the density of dry and hydrous felsic and intermediate melt compositions (rhyolite, phonolite and andesite melts) at crustal and upper mantle conditions (up to 4 GPa and 2000 K). The new data on felsic-intermediate melts has been combined with in situ data on (ultra)mafic systems and ambient pressure dilatometry and sound velocity data to calibrate a continuous, predictive density model for hydrous and CO2-bearing silicate melts with applications to magmatic processes down to the conditions of the mantle transition zone (up to 2773 K and 22 GPa). The calibration dataset consist of more than 370 density measurements on high-pressure and/or water-and CO2-bearing melts and it is formulated in terms of the partial molar properties of the oxide components. The model predicts the density of volatile-bearing liquids to within 42 kg/m3 in the calibration interval and the model extrapolations up to 3000 K and 100 GPa are in good agreement

VOLATILECALC: A silicate melt-H2O-CO2 solution model written in Visual Basic for excel

Science.gov (United States)

Newman, S.; Lowenstern, J. B.

2002-01-01

We present solution models for the rhyolite-H2O-CO2 and basalt-H2O-CO2 systems at magmatic temperatures and pressures below ~ 5000 bar. The models are coded as macros written in Visual Basic for Applications, for use within MicrosoftR Excel (Office'98 and 2000). The series of macros, entitled VOLATILECALC, can calculate the following: (1) Saturation pressures for silicate melt of known dissolved H2O and CO2 concentrations and the corresponding equilibrium vapor composition; (2) open- and closed-system degassing paths (melt and vapor composition) for depressurizing rhyolitic and basaltic melts; (3) isobaric solubility curves for rhyolitic and basaltic melts; (4) isoplethic solubility curves (constant vapor composition) for rhyolitic and basaltic melts; (5) polybaric solubility curves for the two end members and (6) end member fugacities of H2O and CO2 vapors at magmatic temperatures. The basalt-H2O-CO2 macros in VOLATILECALC are capable of calculating melt-vapor solubility over a range of silicate-melt compositions by using the relationships provided by Dixon (American Mineralogist 82 (1997) 368). The output agrees well with the published solution models and experimental data for silicate melt-vapor systems for pressures below 5000 bar. ?? 2002 Elsevier Science Ltd. All rights reserved.

A characterization of Greenland Ice Sheet surface melt and runoff in contemporary reanalyses and a regional climate model

Directory of Open Access Journals (Sweden)

Richard eCullather

2016-02-01

Full Text Available For the Greenland Ice Sheet (GrIS, large-scale melt area has increased in recent years and is detectable via remote sensing, but its relation to runoff is not known. Historical, modeled melt area and runoff from Modern-Era Retrospective Analysis for Research and Applications (MERRA-Replay, the Interim Re-Analysis of the European Centre for Medium Range Weather Forecasts (ERA-I, the Climate Forecast System Reanalysis (CFSR, the Modèle Atmosphérique Régional (MAR, and the Arctic System Reanalysis (ASR are examined. These sources compare favorably with satellite-derived estimates of surface melt area for the period 2000-2012. Spatially, the models markedly disagree on the number of melt days in the interior of the southern part of the ice sheet, and on the extent of persistent melt areas in the northeastern GrIS. Temporally, the models agree on the mean seasonality of daily surface melt and on the timing of large-scale melt events in 2012. In contrast, the models disagree on the amount, seasonality, spatial distribution, and temporal variability of runoff. As compared to global reanalyses, time series from MAR indicate a lower correlation between runoff and melt area (r2 = 0.805. Runoff in MAR is much larger in the second half of the melt season for all drainage basins, while the ASR indicates larger runoff in the first half of the year. This difference in seasonality for the MAR and to an extent for the ASR provide a hysteresis in the relation between runoff and melt area, which is not found in the other models. The comparison points to a need for reliable observations of surface runoff.

Theoretical melting curve of caesium

International Nuclear Information System (INIS)

Simozar, S.; Girifalco, L.A.; Pennsylvania Univ., Philadelphia

1983-01-01

A statistical-mechanical model is developed to account for the complex melting curve of caesium. The model assumes the existence of three different species of caesium defined by three different electronic states. On the basis of this model, the free energy of melting and the melting curve are computed up to 60 kbar, using the solid-state data and the initial slope of the fusion curve as input parameters. The calculated phase diagram agrees with experiment to within the experimental error. Other thermodynamic properties including the entropy and volume of melting were also computed, and they agree with experiment. Since the theory requires only one adjustable constant, this is taken as strong evidence that the three-species model is satisfactory for caesium. (author)

Glass Transition, Crystallization of Glass-Forming Melts, and Entropy

Directory of Open Access Journals (Sweden)

Jürn W. P. Schmelzer

2018-02-01

Full Text Available A critical analysis of possible (including some newly proposed definitions of the vitreous state and the glass transition is performed and an overview of kinetic criteria of vitrification is presented. On the basis of these results, recent controversial discussions on the possible values of the residual entropy of glasses are reviewed. Our conclusion is that the treatment of vitrification as a process of continuously breaking ergodicity with entropy loss and a residual entropy tending to zero in the limit of zero absolute temperature is in disagreement with the absolute majority of experimental and theoretical investigations of this process and the nature of the vitreous state. This conclusion is illustrated by model computations. In addition to the main conclusion derived from these computations, they are employed as a test for several suggestions concerning the behavior of thermodynamic coefficients in the glass transition range. Further, a brief review is given on possible ways of resolving the Kauzmann paradox and its implications with respect to the validity of the third law of thermodynamics. It is shown that neither in its primary formulations nor in its consequences does the Kauzmann paradox result in contradictions with any basic laws of nature. Such contradictions are excluded by either crystallization (not associated with a pseudospinodal as suggested by Kauzmann or a conventional (and not an ideal glass transition. Some further so far widely unexplored directions of research on the interplay between crystallization and glass transition are anticipated, in which entropy may play—beyond the topics widely discussed and reviewed here—a major role.

Analysis of ex-vessel melt jet breakup and coolability. Part 1: Sensitivity on model parameters and accident conditions

Energy Technology Data Exchange (ETDEWEB)

Moriyama, Kiyofumi; Park, Hyun Sun, E-mail: hejsunny@postech.ac.kr; Hwang, Byoungcheol; Jung, Woo Hyun

2016-06-15

Highlights: • Application of JASMINE code to melt jet breakup and coolability in APR1400 condition. • Coolability indexes for quasi steady state breakup and cooling process. • Typical case in complete breakup/solidification, film boiling quench not reached. • Significant impact of water depth and melt jet size; weak impact of model parameters. - Abstract: The breakup of a melt jet falling in a water pool and the coolability of the melt particles produced by such jet breakup are important phenomena in terms of the mitigation of severe accident consequences in light water reactors, because the molten and relocated core material is the primary heat source that governs the accident progression. We applied a modified version of the fuel–coolant interaction simulation code, JASMINE, developed at Japan Atomic Energy Agency (JAEA) to a plant scale simulation of melt jet breakup and cooling assuming an ex-vessel condition in the APR1400, a Korean advanced pressurized water reactor. Also, we examined the sensitivity on seven model parameters and five initial/boundary condition variables. The results showed that the melt cooling performance of a 6 m deep water pool in the reactor cavity is enough for removing the initial melt enthalpy for solidification, for a melt jet of 0.2 m initial diameter. The impacts of the model parameters were relatively weak and that of some of the initial/boundary condition variables, namely the water depth and melt jet diameter, were very strong. The present model indicated that a significant fraction of the melt jet is not broken up and forms a continuous melt pool on the containment floor in cases with a large melt jet diameter, 0.5 m, or a shallow water pool depth, ≤3 m.

Volatile diffusion in silicate melts and its effects on melt inclusions

Directory of Open Access Journals (Sweden)

P. Scarlato

2005-06-01

Full Text Available A compendium of diffusion measurements and their Arrhenius equations for water, carbon dioxide, sulfur, fluorine, and chlorine in silicate melts similar in composition to natural igneous rocks is presented. Water diffusion in silicic melts is well studied and understood, however little data exists for melts of intermediate to basic compositions. The data demonstrate that both the water concentration and the anhydrous melt composition affect the diffusion coefficient of water. Carbon dioxide diffusion appears only weakly dependent, at most, on the volatilefree melt composition and no effect of carbon dioxide concentration has been observed, although few experiments have been performed. Based upon one study, the addition of water to rhyolitic melts increases carbon dioxide diffusion by orders of magnitude to values similar to that of 6 wt% water. Sulfur diffusion in intermediate to silicic melts depends upon the anhydrous melt composition and the water concentration. In water-bearing silicic melts sulfur diffuses 2 to 3 orders of magnitude slower than water. Chlorine diffusion is affected by both water concentration and anhydrous melt composition; its values are typically between those of water and sulfur. Information on fluorine diffusion is rare, but the volatile-free melt composition exerts a strong control on its diffusion. At the present time the diffusion of water, carbon dioxide, sulfur and chlorine can be estimated in silicic melts at magmatic temperatures. The diffusion of water and carbon dioxide in basic to intermediate melts is only known at a limited set of temperatures and compositions. The diffusion data for rhyolitic melts at 800°C together with a standard model for the enrichment of incompatible elements in front of growing crystals demonstrate that rapid crystal growth, greater than 10-10 ms-1, can significantly increase the volatile concentrations at the crystal-melt interface and that any of that melt trapped

Heat transfer modelling and stability analysis of selective laser melting

International Nuclear Information System (INIS)

Gusarov, A.V.; Yadroitsev, I.; Bertrand, Ph.; Smurov, I.

2007-01-01

The process of direct manufacturing by selective laser melting basically consists of laser beam scanning over a thin powder layer deposited on a dense substrate. Complete remelting of the powder in the scanned zone and its good adhesion to the substrate ensure obtaining functional parts with improved mechanical properties. Experiments with single-line scanning indicate, that an interval of scanning velocities exists where the remelted tracks are uniform. The tracks become broken if the scanning velocity is outside this interval. This is extremely undesirable and referred to as the 'balling' effect. A numerical model of coupled radiation and heat transfer is proposed to analyse the observed instability. The 'balling' effect at high scanning velocities (above ∼20 cm/s for the present conditions) can be explained by the Plateau-Rayleigh capillary instability of the melt pool. Two factors stabilize the process with decreasing the scanning velocity: reducing the length-to-width ratio of the melt pool and increasing the width of its contact with the substrate

Microphysical characteristics of squall-line stratiform precipitation and transition zones inferred using an ice particle property-evolving model

Science.gov (United States)

Jensen, A. A.; Harrington, J. Y.; Morrison, H.

2017-12-01

A quasi-idealized 3D squall line (based on a June 2007 Oklahoma case) is simulated using a novel bulk microphysics scheme called the Ice-Spheroids Habit Model with Aspect-ratio Evolution (ISHMAEL). In ISHMAEL, the evolution of ice particle properties, such as mass, shape, maximum diameter, density, and fall speed, are tracked as these properties evolve from vapor growth, sublimation, riming, and melting. Thus, ice properties evolve from various microphysical processes without needing separate unrimed and rimed ice categories. Simulation results show that ISHMAEL produces both a squall-line transition zone and an enhanced stratiform precipitation region. The ice particle properties produced in this simulation are analyzed and compared to observations to determine the characteristics of ice that lead to the development of these squall-line features. It is shown that rimed particles advected rearward from the convective region produce the enhanced stratiform precipitation region. The development of the transition zone results from hydrometer sorting: the evolution of ice particle properties in the convective region produces specific fall speeds that favor significant ice advecting rearward of the transition zone before reaching the melting level, causing a local minimum in precipitation rate and reflectivity there. Microphysical sensitivity studies, for example turning rime splintering off, that lead to changes in ice particle properties reveal that the fall speed of ice particles largely determines both the location of the enhanced stratiform precipitation region and whether or not a transition zone forms.

Non-local viscosity of polymer melts approaching their glassy state

DEFF Research Database (Denmark)

Puscasu, Ruslan; Todd, Billy; Daivis, Peter

2010-01-01

The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed...

Study of viscosity of aluminum melt during glass transition by molecular dynamics and Green–Kubo formula

International Nuclear Information System (INIS)

Kirova, E M; Pisarev, V V

2016-01-01

Molecular dynamics study of shear viscosity behavior of liquid aluminum is performed. The embedded atom method potential is used at the simulation of isobaric cooling. The viscosity is calculated using the Green–Kubo formula. The stress autocorrelation functions are obtained in the range 300-1200 K. The calculated kinematic viscosity is in agreement with the experimental data for the temperatures above melting temperature. The steep change of the shear viscosity is found below 650 K which we associate with the glass transition and is in a good agreement with the temperature which is obtained using the calorimetric criterion Kolotova et al (2015 J. Non-Cryst. Solids 429 98). The viscosity coefficient can not be calculated using the direct atomistic simulations below that temperature. (paper)

Melting spectral functions of the scalar and vector mesons in a holographic QCD model

International Nuclear Information System (INIS)

Fujita, Mitsutoshi; Kikuchi, Toru; Fukushima, Kenji; Misumi, Tatsuhiro; Murata, Masaki

2010-01-01

We investigate the finite-temperature spectral functions of heavy quarkonia by using the soft-wall anti-de Sitter/QCD model. We discuss the scalar, the pseudoscalar, the vector, and the axial-vector mesons and compare their qualitative features of the melting temperature and growing width. We find that the axial-vector meson melts earlier than the vector meson, while there appears only a slight difference between the scalar and pseudoscalar mesons, which also melt earlier than the vector meson.

Vertical melting of a stack of membranes

Science.gov (United States)

Borelli, M. E. S.; Kleinert, H.; Schakel, A. M. J.

2001-02-01

A stack of tensionless membranes with nonlinear curvature energy and vertical harmonic interaction is studied. At low temperatures, the system forms a lamellar phase. At a critical temperature, the stack disorders vertically in a melting-like transition.

A finite volume alternate direction implicit approach to modeling selective laser melting

DEFF Research Database (Denmark)

Hattel, Jesper Henri; Mohanty, Sankhya

2013-01-01

Over the last decade, several studies have attempted to develop thermal models for analyzing the selective laser melting process with a vision to predict thermal stresses, microstructures and resulting mechanical properties of manufactured products. While a holistic model addressing all involved...... to accurately simulate the process, are constrained by either the size or scale of the model domain. A second challenging aspect involves the inclusion of non-linear material behavior into the 3D implicit FE models. An alternating direction implicit (ADI) method based on a finite volume (FV) formulation...... is proposed for modeling single-layer and few-layers selective laser melting processes. The ADI technique is implemented and applied for two cases involving constant material properties and non-linear material behavior. The ADI FV method consume less time while having comparable accuracy with respect to 3D...

Melting of Domain Wall in Charge Ordered Dirac Electron of Organic Conductor α-(BEDT-TTF)2I3

Science.gov (United States)

Ohki, Daigo; Matsuno, Genki; Omori, Yukiko; Kobayashi, Akito

2018-05-01

The origin of charge order melting is identified by using the real space dependent mean-field theory in the extended Hubbard model describing an organic Dirac electron system α-(BEDT-TTF)2I3. In this model, the width of a domain wall which arises between different types of the charge ordered phase exhibits a divergent increase with decreasing the strength of electron-electron correlations. By analyzing the finite-size effect carefully, it is shown that the divergence coincides with a topological transition where a pair of Dirac cones merges in keeping with a finite gap. It is also clarified that the gap opening point and the topological transition point are different, which leads to the existence of an exotic massive Dirac electron phase with melted-type domain wall and gapless edge states. The present result also indicated that multiple metastable states are emerged in massive Dirac Electron phase. In the trivial charge ordered phase, the gapless domain-wall bound state takes place instead of the gapless edge states, accompanying with a form change of the domain wall from melted-type into hyperbolic-tangent-type.

Ocean stratification reduces melt rates at the grounding zone of the Ross Ice Shelf

Science.gov (United States)

Begeman, C. B.; Tulaczyk, S. M.; Marsh, O.; Mikucki, J.; Stanton, T. P.; Hodson, T. O.; Siegfried, M. R.; Powell, R. D.; Christianson, K. A.; King, M. A.

2017-12-01

Ocean-driven melting of ice shelves is often invoked as the primary mechanism for triggering ice loss from Antarctica. However, due to the difficulty in accessing the sub-ice-shelf ocean cavity, the relationship between ice-shelf melt rates and ocean conditions is poorly understood, particularly near the transition from grounded to floating ice, known as the grounding zone. Here we present the first borehole oceanographic observations from the grounding zone of Antarctica's largest ice shelf. Contrary to predictions that tidal currents near grounding zones should mix the water column, driving high ice-shelf melt rates, we find a stratified sub-ice-shelf water column. The vertical salinity gradient dominates stratification over a weakly unstable vertical temperature gradient; thus, stratification takes the form of a double-diffusive staircase. These conditions limit vertical heat fluxes and lead to low melt rates in the ice-shelf grounding zone. While modern grounding zone melt rates may presently be overestimated in models that assume efficient tidal mixing, the high sensitivity of double-diffusive staircases to ocean freshening and warming suggests future melt rates may be underestimated, biasing projections of global sea-level rise.

Model of coordination melting of crystals and anisotropy of physical and chemical properties of the surface

Science.gov (United States)

Bokarev, Valery P.; Krasnikov, Gennady Ya

2018-02-01

Based on the evaluation of the properties of crystals, such as surface energy and its anisotropy, the surface melting temperature, the anisotropy of the work function of the electron, and the anisotropy of adsorption, were shown the advantages of the model of coordination melting (MCM) in calculating the surface properties of crystals. The model of coordination melting makes it possible to calculate with an acceptable accuracy the specific surface energy of the crystals, the anisotropy of the surface energy, the habit of the natural crystals, the temperature of surface melting of the crystal, the anisotropy of the electron work function and the anisotropy of the adhesive properties of single-crystal surfaces. The advantage of our model is the simplicity of evaluating the surface properties of the crystal based on the data given in the reference literature. In this case, there is no need for a complex mathematical tool, which is used in calculations using quantum chemistry or modeling by molecular dynamics.

On the correlation between hydrogen bonding and melting points in the inositols

Directory of Open Access Journals (Sweden)

Sándor L. Bekö

2014-01-01

Full Text Available Inositol, 1,2,3,4,5,6-hexahydroxycyclohexane, exists in nine stereoisomers with different crystal structures and melting points. In a previous paper on the relationship between the melting points of the inositols and the hydrogen-bonding patterns in their crystal structures [Simperler et al. (2006. CrystEngComm 8, 589], it was noted that although all inositol crystal structures known at that time contained 12 hydrogen bonds per molecule, their melting points span a large range of about 170 °C. Our preliminary investigations suggested that the highest melting point must be corrected for the effect of molecular symmetry, and that the three lowest melting points may need to be revised. This prompted a full investigation, with additional experiments on six of the nine inositols. Thirteen new phases were discovered; for all of these their crystal structures were examined. The crystal structures of eight ordered phases could be determined, of which seven were obtained from laboratory X-ray powder diffraction data. Five additional phases turned out to be rotator phases and only their unit cells could be determined. Two previously unknown melting points were measured, as well as most enthalpies of melting. Several previously reported melting points were shown to be solid-to-solid phase transitions or decomposition points. Our experiments have revealed a complex picture of phases, rotator phases and phase transitions, in which a simple correlation between melting points and hydrogen-bonding patterns is not feasible.

Modeling for transition management

NARCIS (Netherlands)

Chappin, E.J.L.; Dijkema, G.P.J.

2015-01-01

A framework for the modeling and simulation of transitions is presented. A transition, “substantial change in the state of a socio-technical system”, typically unfolds over a long timespan. We therefore suggest to use simulation to inform transition managers on the effect of their decisions.

Modeling for Transition Management

NARCIS (Netherlands)

Chappin, Emile J L; Dijkema, Gerard P.J.

2015-01-01

A framework for the modeling and simulation of transitions is presented. A transition, “substantial change in the state of a socio-technical system”, typically unfolds over a long timespan. We therefore suggest to use simulation to inform transition managers on the effect of their decisions.

Two-dimensional model of laser alloying of binary alloy powder with interval of melting temperature

Science.gov (United States)

Knyzeva, A. G.; Sharkeev, Yu. P.

2017-10-01

The paper contains two-dimensional model of laser beam melting of powders from binary alloy. The model takes into consideration the melting of alloy in some temperature interval between solidus and liquidus temperatures. The external source corresponds to laser beam with energy density distributed by Gauss law. The source moves along the treated surface according to given trajectory. The model allows investigating the temperature distribution and thickness of powder layer depending on technological parameters.

Structure of dense shock-melted alkali halides: Evidence for a continuous pressure-induced structural transition in the melt

International Nuclear Information System (INIS)

Ross, M.; Rogers, F.J.

1985-01-01

Hypernetted-chain equation calculations have been made for the ion-ion pair distribution functions in shock-melted CsI, CsBr, KBr, KCl, NaCl, and LiF. The results show that the melt undergoes a gradual pressure-induced structural change from an open NaCl-like structure with six nearest neighbors of opposite charge to one that has a rare-gas close-packed-like arrangement containing about 12 neighbors of mixed charge. These effects are most pronounced for the larger ions in which the short-range repulsions are stronger relative to long-range Coulomb attractions

Population balance modelling of fluidized bed melt granulation: an overview

NARCIS (Netherlands)

Tan, H.S.; Goldschmidt, M.J.V.; Boerefijn, R.; Hounslow, M.J.; Salman, A.; Kuipers, J.A.M.

2005-01-01

This paper presents an overview of the work undertaken by our group to identify and quantify the rates processes active in fluidized bed melt granulation (FBMG). The process involves the identification and development of physically representative models to mechanistically describe FBMG using both

Infrared laser-induced chaos and conformational disorder in a model polymer crystal: Melting vs ablation

International Nuclear Information System (INIS)

Sumpter, B.G.; Noid, D.W.; Voth, G.A.; Wunderlich, B.

1990-01-01

Molecular dynamics-based computer simulations are presented for the interaction of one and two infrared (IR) laser beams with a model polymer surface. When a single laser beam system is studied over a wide range of intensities, only melting of the polymer, or melting followed by bond dissociation, is observed for up to 100 picoseconds. In contrast, the two-laser simulation results exhibit a marked difference in the energy absorption behavior of the irradiated polymer which, in turn, results in multiple bond dissociations. The results for the one- and two-laser cases studied can be divided into four different classes of physical behavior: (a) the polymer remains in the solid state; (b) the polymer crystal melts; (c) the polymer ablates, but with significant melting (charring); or (d) the polymer ablates with minimal melting. Damage to the model polymer crystal from absorption of energy from either one or two lasers occurs through a mechanism that involves the competition between the absorption of energy and internal energy redistribution. The rate of energy loss from the absorption site(s) relative to the rate of absorption of energy from the radiation field determines rather the polymer melts or ablates (low absorption rates lead to melting or no change and high rates lead to ablation). A sufficiently large rate of energy absorption is only obtainable through the use of two lasers. Two lasers also significantly decrease the total laser intensity required to cause polymer crystal melting. The differences between the one- and two-laser cases are studied by adapting novel signal/subspace techniques to analyze the dynamical changes in the mode spectrum of the polymer as it melts

Model for melt blockage (slug) relocation and physico-chemical interactions during core degradation under severe accident conditions

International Nuclear Information System (INIS)

Veshchunov, M.S.; Shestak, V.E.

2008-01-01

The model describing massive melt blockage (slug) relocation and physico-chemical interactions with steam and surrounding fuel rods of a bundle is developed on the base of the observations in the CORA tests. Mass exchange owing to slug oxidation and fuel rods dissolution is described by the previously developed 2D model for the molten pool oxidation. Heat fluxes in oxidising melt along with the oxidation heat effect at the melt relocation front are counterbalanced by the heat losses in the surrounding media and the fusion heat effect of the Zr claddings attacked by the melt. As a result, the slug relocation velocity is calculated from the heat flux matches at the melt propagation front (Stefan problem). A numerical module simulating the slug behaviour is developed by tight coupling of the heat and mass exchange modules. The new model demonstrates a reasonable capability to simulate the main features of the massive slug behaviour observed in the CORA-W1 test

Investigations of model polymers: Dynamics of melts and statics of a long chain in a dilute melt of shorter chains

International Nuclear Information System (INIS)

Bishop, M.; Ceperley, D.; Frisch, H.L.; Kalos, M.H.

1982-01-01

We report additional results on a simple model of polymers, namely the diffusion in concentrated polymer systems and the static properties of one long chain in a dilute melt of shorter chains. It is found, for the polymer sizes and time scales amenable to our computer calculations, that there is as yet no evidence for a ''reptation'' regime in a melt. There is some indication of reptation in the case of a single chain moving through fixed obstacles. No statistically significant effect of the change, from excluded volume behavior of the long chain to ideal behavior as the shorter chains grow, is observed

Melt coolability modeling and comparison to MACE test results

International Nuclear Information System (INIS)

Farmer, M.T.; Sienicki, J.J.; Spencer, B.W.

1992-01-01

An important question in the assessment of severe accidents in light water nuclear reactors is the ability of water to quench a molten corium-concrete interaction and thereby terminate the accident progression. As part of the Melt Attack and Coolability Experiment (MACE) Program, phenomenological models of the corium quenching process are under development. The modeling approach considers both bulk cooldown and crust-limited heat transfer regimes, as well as criteria for the pool thermal hydraulic conditions which separate the two regimes. The model is then compared with results of the MACE experiments

Size and temperature consideration in the liquid layer growth from nanovoids and the melting model construction

International Nuclear Information System (INIS)

Li, H.; Liang, X.H.; Li, M.

2014-01-01

A new model for the solid melting point T m (D) from nanovoids is proposed through considering the liquid layer growth behavior. This model, which does not have any adjustable parameter, introduces the classical thermodynamic treatment, i.e., the liquid nucleation and growth theory, for nanoparticle melting. With increased void diameter D, T m (D) approaches to T m0 . Moreover, T m (D) > T m0 for a small void (T m0 is the bulk melting point). In other words, the solid can be significantly superheated especially when D decreases, even if the difference of interface energy is larger than zero. This finding can be expected from the negatively curved surface of the void. The model predictions are consistent with the molecular dynamic (MD) simulation results for argon solids. Moreover, the growth of liquid layer from void surface relies on both size and temperature, which directly determine liquid layer thickness, and only when liquid layer thickness reaches to a critical value, can void become instable. - Highlights: • A united model for the crystal melting point from nanovoids is established. • Melting point increases with decreased void size. • The result is expected from the negatively curved surface of the void. • The prediction is agreed well with the MD simulation results

High-pressure melting curve of KCl: Evidence against lattice-instability theories of melting

International Nuclear Information System (INIS)

Ross, M.; Wolf, G.

1986-01-01

We show that the large curvature in the T-P melting curve of KCl is the result of a reordering of the liquid to a more densely packed arrangement. As a result theories of melting, such as the instability model, which do not take into account the structure of the liquid fail to predict the correct pressure dependence of the melting curve

Image analysis as an improved melting criterion in laser-heated diamond anvil cell

OpenAIRE

Salem, Ran; Matityahu, Shlomi; Melchior, Aviva; Nikolaevsky, Mark; Noked, Ori; Sterer, Eran

2015-01-01

The precision of melting curve measurements using laser-heated diamond anvil cell (LHDAC) is largely limited by the correct and reliable determination of the onset of melting. We present a novel image analysis of speckle interference patterns in the LHDAC as a way to define quantitative measures which enable an objective determination of the melting transition. Combined with our low-temperature customized IR pyrometer, designed for measurements down to 500K, our setup allows studying the melt...

Comparisons of seismic and electromagnetic structures of the MELT area

Science.gov (United States)

Evans, R. L.; Hirth, G.; Forsyth, D.; Baba, K.; Chave, A.

2003-04-01

Both seismic and electromagnetic (EM) models from the MELT experiment show similar broad scale features in the mantle beneath the Southern EPR. In all EM models, the conductivity in the upper 50-60˜km is considerably higher to the west of the ridge than to the east. Similarly, seismic models of short period Love waves are asymmetric in velocity structure, with slower velocities to the west of the ridge within the upper 60˜km. Body wave data suggest a similar asymmetry, although the depth extent is not as well defined. West of the ridge, both the higher conductivities and lower velocities have been attributed to the presence of a small melt fraction, although the anomalous regions estimated from different techniques do not entirely agree. To the east, there is a rapid increase in resistivity and S-wave velocity, indicating that within 25˜km of the axis the mantle above 70˜km is both dry and melt-free. Further away from the ridge, the boundary between a conductive asthenospheric mantle and a resistive overlying mantle flattens, at a depth around 60-80˜km. Rayleigh wave inversions also show fairly flat velocity contours with a broad minimum centered at 60-80˜km. Both of these features are consistent with a transition from dry to damp mantle. Also away from the ridge, EM data, shear-wave splitting, and Rayleigh waves all require an azimuthally anisotropic mantle consistent with the a-axis of olivine being preferentially oriented horizontally and perpendicular to the ridge. Anisotropy in EM data suggests damp mantle conditions in the 100-200˜km depth range, with enhanced conduction along the a-axis of olivine. Rayleigh waves are most sensitive to shallower structure and require anisotropy in the upper 70˜km. In the uppermost 40˜km, the most conductive and lowest velocity regions are close to the axis but offset 5-10˜km to the west. Some anisotropic inversions recover a vertically conductive feature that could be interpreted as a few percent melt distributed in

SCDAP/RELAP5 modeling of movement of melted material through porous debris in lower head

International Nuclear Information System (INIS)

Siefken, L. J.; Harvego, E. A.

2000-01-01

A model is described for the movement of melted metallic material through a ceramic porous debris bed. The model is designed for the analysis of severe accidents in LWRs, wherein melted core plate material may slump onto the top of a porous bed of relocated core material supported by the lower head. The permeation of the melted core plate material into the porous debris bed influences the heatup of the debris bed and the heatup of the lower head supporting the debris. A model for mass transport of melted metallic material is applied that includes terms for viscosity and turbulence but neglects inertial and capillary terms because of their small value relative to gravity and viscous terms in the momentum equation. The relative permeability and passability of the porous debris are calculated as functions of debris porosity, particle size, and effective saturation. An iterative numerical solution is used to solve the set of nonlinear equations for mass transport. The effective thermal conductivity of the debris is calculated as a function of porosity, particle size, and saturation. The model integrates the equations for mass transport with a model for the two-dimensional conduction of heat through porous debris. The integrated model has been implemented into the SCDAP/RELAP5 code for the analysis of the integrity of LWR lower heads during severe accidents. The results of the model indicate that melted core plate material may permeate to near the bottom of a 1m deep hot porous debris bed supported by the lower head. The presence of the relocated core plate material was calculated to cause a 12% increase in the heat flux on the external surface of the lower head

Phase transitions and glass transition in a hyperquenched silica–alumina glass

DEFF Research Database (Denmark)

Zhang, Y.F.; Zhao, D.H.; Yue, Yuanzheng

2017-01-01

We investigate phase transitions, glass transition, and dynamic behavior in the hyperquenched 69SiO2–31Al2O3 (mol%) glass (SA glass). Upon reheating, the SA glass exhibits a series of thermal responses. Subsequent to the sub-Tg enthalpy release, the glass undergoes a large jump in isobaric heat...... capacity (ΔCp) during glass transition, implying the fragile nature of the SA glass. The mullite starts to form before the end of glass transition, indicating that the SA glass is extremely unstable against crystallization. After the mullite formation, the remaining glass phase exhibits an increased Tg...... and a suppressed ΔCp. The formation of cristobalite at 1553 K indicates the dominance of silica in the remaining glass matrix. The cristobalite gradually re-melts as the isothermal heat-treatment temperature is raised from 1823 to 1853 K, which is well below the melting point of cristobalite, while the amount...

Two phase modeling of nanofluid flow in existence of melting heat transfer by means of HAM

Science.gov (United States)

Sheikholeslami, M.; Jafaryar, M.; Bateni, K.; Ganji, D. D.

2018-02-01

In this article, Buongiorno Model is applied for investigation of nanofluid flow over a stretching plate in existence of magnetic field. Radiation and Melting heat transfer are taken into account. Homotopy analysis method (HAM) is selected to solve ODEs which are obtained from similarity transformation. Roles of Brownian motion, thermophoretic parameter, Hartmann number, porosity parameter, Melting parameter and Eckert number are presented graphically. Results indicate that nanofluid velocity and concentration enhance with rise of melting parameter. Nusselt number reduces with increase of porosity and melting parameters.

Performances of the snow accumulation melting model SAMM: results in the Northern Apennines test area

Science.gov (United States)

Lagomarsino, Daniela; Martelloni, Gianluca; Segoni, Samuele; Catani, Filippo; Fanti, Riccardo

2013-04-01

In this work we propose a snow accumulation-melting model (SAMM) to forecast the snowpack height and we compare the results with a simple temperature index model and an improved version of the latter.For this purpose we used rainfall, temperature and snowpack thickness 5-years data series from 7 weather stations in the Northern Apennines (Emilia Romagna Region, Italy). SAMM is based on two modules modelling the snow accumulation and the snowmelt processes. Each module is composed by two equations: a mass conservation equation is solved to model snowpack thickness and an empirical equation is used for the snow density. The processes linked to the accumulation/depletion of the snowpack (e.g. compression of the snowpack due to newly fallen snow and effects of rainfall) are modelled identifying limiting and inhibitory factors according to a kinetic approach. The model depends on 13 empirical parameters, whose optimal values were defined with an optimization algorithm (simplex flexible) using calibration measures of snowpack thickness. From an operational point of view, SAMM uses as input data only temperature and rainfall measurements, bringing the additional advantage of a relatively easy implementation. In order to verify the improvement of SAMM with respect to a temperature-index model, the latter was applied considering, for the amount of snow melt, the following equation: M = fm(T-T0), where M is hourly melt, fm is the melting factor and T0 is a threshold temperature. In this case the calculation of the depth of the snowpack requires the use of 3 parameters: fm, T0 and ?0 (the mean density of the snowpack). We also performed a simulation by replacing the SAMM melting module with the above equation and leaving unchanged the accumulation module: in this way we obtained a model with 9 parameters. The simulations results suggest that any further extension of the simple temperature index model brings some improvements with a consequent decrease of the mean error

Transition Models for Engineering Calculations

Science.gov (United States)

Fraser, C. J.

2007-01-01

While future theoretical and conceptual developments may promote a better understanding of the physical processes involved in the latter stages of boundary layer transition, the designers of rotodynamic machinery and other fluid dynamic devices need effective transition models now. This presentation will therefore center around the development of of some transition models which have been developed as design aids to improve the prediction codes used in the performance evaluation of gas turbine blading. All models are based on Narasimba's concentrated breakdown and spot growth.

Advanced One-Dimensional Entrained-Flow Gasifier Model Considering Melting Phenomenon of Ash

Directory of Open Access Journals (Sweden)

Jinsu Kim

2018-04-01

Full Text Available A one-dimensional model is developed to represent the ash-melting phenomenon, which was not considered in the previous one-dimensional (1-D entrained-flow gasifier model. We include sensible heat of slag and the fusion heat of ash in the heat balance equation. To consider the melting of ash, we propose an algorithm that calculates the energy balance for three scenarios based on temperature. We also use the composition and the thermal properties of anorthite mineral to express ash. gPROMS for differential equations is used to solve this algorithm in a simulation; the results include coal conversion, gas composition, and temperature profile. Based on the Texaco pilot plant gasifier, we validate our model. Our results show good agreement with previous experimental data. We conclude that the sensible heat of slag and the fusion heat of ash must be included in the entrained flow gasifier model.

Melting with convection and radiation in a participating phase change material

International Nuclear Information System (INIS)

Miranda Fuentes, Johann; Johannes, Kévyn; Kuznik, Frédéric; Cosnier, Matthieu; Virgone, Joseph

2013-01-01

Highlights: ► Modelling of the phase change with natural convection and radiation. ► Novel LBM MRT with phase change and energy equation. ► Diffuse radiation increases the heat transfer but not global behavior of phase change. - Abstract: This article presents a novel model to simulate melting of a phase change material, with natural convection and radiation. For the phase change problem, the enthalpy formulation is used. Energy equation is solved by finite differences, whereas fluid flow equations are solved by the lattice Boltzmann method. For radiation intensity, the radiative transfer equation is solved by the discrete ordinates method, and then radiation flux is added into the energy equation. The model is first validated with literature results. Then, a glass brick wall filled with a fatty acid is simulated to evaluate the heat transfer processes. The results show that (1) natural convection plays an important role in the transitional behaviour of the global heat transfer process and (2) the long wave radiation has few impacts on the melting process

Macroeconomic models and energy transition

International Nuclear Information System (INIS)

Douillard, Pierre; Le Hir, Boris; Epaulard, Anne

2016-02-01

As a new policy for energy transition has just been adopted, several questions emerge about the best way to reduce CO 2 emissions, about policies which enable this reduction, and about their costs and opportunities. This note discusses the contribution macro-economic models may have in this respect, notably in the definition of policies which trigger behaviour changes, and those which support energy transition. The authors first discuss the stakes of the assessment of energy transition, and then describe macro-economic models which can be used for such an assessment, give and comment some results of simulations performed for France by using four of these models (Mesange, Numesis, ThreeME, and Imaclim-R France). The authors finally draw lessons about the way to use these models and to interpret their results within the frame of energy transition

Melting under shock compression

International Nuclear Information System (INIS)

Bennett, B.I.

1980-10-01

A simple model, using experimentally measured shock and particle velocities, is applied to the Lindemann melting formula to predict the density, temperature, and pressure at which a material will melt when shocked from room temperature and zero pressure initial conditions

Evidence of two-stage melting of Wigner solids

Science.gov (United States)

Knighton, Talbot; Wu, Zhe; Huang, Jian; Serafin, Alessandro; Xia, J. S.; Pfeiffer, L. N.; West, K. W.

2018-02-01

Ultralow carrier concentrations of two-dimensional holes down to p =1 ×109cm-2 are realized. Remarkable insulating states are found below a critical density of pc=4 ×109cm-2 or rs≈40 . Sensitive dc V-I measurement as a function of temperature and electric field reveals a two-stage phase transition supporting the melting of a Wigner solid as a two-stage first-order transition.

Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: part 1. Boiling point and melting point.

Science.gov (United States)

Admire, Brittany; Lian, Bo; Yalkowsky, Samuel H

2015-01-01

The UPPER (Unified Physicochemical Property Estimation Relationships) model uses enthalpic and entropic parameters to estimate 20 biologically relevant properties of organic compounds. The model has been validated by Lian and Yalkowsky on a data set of 700 hydrocarbons. The aim of this work is to expand the UPPER model to estimate the boiling and melting points of polyhalogenated compounds. In this work, 19 new group descriptors are defined and used to predict the transition temperatures of an additional 1288 compounds. The boiling points of 808 and the melting points of 742 polyhalogenated compounds are predicted with average absolute errors of 13.56 K and 25.85 K, respectively. Copyright © 2014 Elsevier Ltd. All rights reserved.

Raman spectroscopy study of the crystal - melt phase transition of lanthanum, cerium and neodymium trichlorides; Issledovanie fazovogo perekhoda kristall-rasplav trikhloridov lantana, tseriya i neodima metodom spektroskopii KRS

Energy Technology Data Exchange (ETDEWEB)

Zakir' yanova, I D; Salyulev, A B [UrO RAN, Inst. Vysokotemperaturnoj Ehlektrokhimii, Ekaterinburg (Russian Federation)

2007-09-15

Systematic structural studies of crystalline (over a wide temperature range) and molten LaCl{sub 3}, CeCl{sub 3}, and NdCl{sub 3} salts (near the crystal-melt phase transition temperature) are conducted employing Raman spectroscopy. A change in the trend of temperature dependences of characteristic frequencies is revealed in the pre-melting region of the compounds. This is attributed to an increase in the number of crystal defects due to weakening of a part of Ln-Cl bonds and decreasing of coordination number of chloride anions in the vicinity of rare earth cation.

Polymineralic inclusions in mantle chromitites from the Oman ophiolite indicate a highly magnesian parental melt

Science.gov (United States)

Rollinson, Hugh; Mameri, Lucan; Barry, Tiffany

2018-06-01

Polymineralic inclusions interpreted as melt inclusions in chromite from the dunitic Moho Transition Zone in the Maqsad area of the Oman ophiolite have been analysed and compositions integrated using a rastering technique on the scanning electron microscope. The inclusions now comprise a range of inter-grown hydrous phases including pargasite, aspidolite, phlogopite and chlorite, indicating that the parental melts were hydrous. Average inclusion compositions for seven samples contain between 23.1 and 26.8 wt% MgO and 1.7-3.6 wt% FeO. Compositions were corrected to allow for the low FeO concentrations using coexisting olivine compositions. These suggest that the primary melt has between 20 and 22 wt% MgO and 7-9.7 wt% FeO and has an affinity with boninitic melts, although the melts have a higher Ti content than most boninites. Average rare earth element concentrations suggest that the melts were derived from a REE depleted mantle source although fluid-mobile trace elements indicate a more enriched source. Given the hydrous nature of the inclusions this enrichment could be fluid driven. An estimate of the melt temperature can be made from the results of homogenisation experiments on these inclusions and suggests 1300 °C, which implies for a harzburgite solidus, relatively shallow melting at depths of <50 km and is consistent with a boninitic origin. The current "basaltic" nature of the chromite host to highly magnesian melt inclusions suggests that the dunitic Moho Transition Zone operated as a reaction filter in which magnesian melts were transformed into basalts by the removal of high magnesian olivines, particularly in areas where the Moho Transition Zone is unusually thick. We propose therefore that podiform mantle chromitites, even those with an apparent MORB-like chemical signature, have crystallised from a highly magnesian parental melt. The data presented here strongly support the view that this took place in a subduction initiation setting.

Applications of disorder-induced melting concept to critical-solute-accumulation processes

International Nuclear Information System (INIS)

Lam, N.Q.; Okamoto, P.R.; Heuer, J.K.

2001-01-01

A generalized version of the Lindemann melting criterion has recently been used to develop a unified thermodynamic description of disorder-induced amorphization and heat-induced melting. This concept of amorphization as a melting process is based on the fact that the melting temperature of a defective crystal driven far from equilibrium will decrease relative to that of its defect-free equilibrium state. The broader view of melting provides a new perspective of damage-accumulation processes such as radiation damage, ion implantation, ion beam mixing, plastic deformation, and fracture. For example, within this conceptual framework, disorder-induced amorphization is simply polymorphous melting of a critically disordered crystal at temperatures below the glass transition temperature. In the present communication, we discuss the application of the concept to two specific cases: amorphous phase formation during ion implantation and solute segregation-induced intergranular fracture

Tin in granitic melts: The role of melting temperature and protolith composition

Science.gov (United States)

Wolf, Mathias; Romer, Rolf L.; Franz, Leander; López-Moro, Francisco Javier

2018-06-01

Granite bound tin mineralization typically is seen as the result of extreme magmatic fractionation and late exsolution of magmatic fluids. Mineralization, however, also could be obtained at considerably less fractionation if initial melts already had enhanced Sn contents. We present chemical data and results from phase diagram modeling that illustrate the dominant roles of protolith composition, melting conditions, and melt extraction/evolution for the distribution of Sn between melt and restite and, thus, the Sn content of melts. We compare the element partitioning between leucosome and restite of low-temperature and high-temperature migmatites. During low-temperature melting, trace elements partition preferentially into the restite with the possible exception of Sr, Cd, Bi, and Pb, that may be enriched in the melt. In high-temperature melts, Ga, Y, Cd, Sn, REE, Pb, Bi, and U partition preferentially into the melt whereas Sc, V, Cr, Co, Ni, Mo, and Ba stay in the restite. This contrasting behavior is attributed to the stability of trace element sequestering minerals during melt generation. In particular muscovite, biotite, titanite, and rutile act as host phases for Sn and, therefore prevent Sn enrichment in the melt as long as they are stable phases in the restite. As protolith composition controls both the mineral assemblage and modal contents of the various minerals, protolith composition eventually also controls the fertility of a rock during anatexis, restite mineralogy, and partitioning behavior of trace metals. If a particular trace element is sequestered in a phase that is stable during partial melting, the resulting melt is depleted in this element whereas the restite becomes enriched. Melt generation at high temperature may release Sn when Sn-hosts become unstable. If melt has not been lost before the breakdown of Sn-hosts, Sn contents in the melt will increase but never will be high. In contrast, if melt has been lost before the decomposition of Sn

Modeling of velocity field for vacuum induction melting process

Institute of Scientific and Technical Information of China (English)

CHEN Bo; JIANG Zhi-guo; LIU Kui; LI Yi-yi

2005-01-01

The numerical simulation for the recirculating flow of melting of an electromagnetically stirred alloy in a cylindrical induction furnace crucible was presented. Inductive currents and electromagnetic body forces in the alloy under three different solenoid frequencies and three different melting powers were calculated, and then the forces were adopted in the fluid flow equations to simulate the flow of the alloy and the behavior of the free surface. The relationship between the height of the electromagnetic stirring meniscus, melting power, and solenoid frequency was derived based on the law of mass conservation. The results show that the inductive currents and the electromagnetic forces vary with the frequency, melting power, and the physical properties of metal. The velocity and the height of the meniscus increase with the increase of the melting power and the decrease of the solenoid frequency.

A metastable liquid melted from a crystalline solid under decompression

Science.gov (United States)

Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kono, Yoshio; Park, Changyong; Kenney-Benson, Curtis; Shen, Guoyin

2017-01-01

A metastable liquid may exist under supercooling, sustaining the liquid below the melting point such as supercooled water and silicon. It may also exist as a transient state in solid-solid transitions, as demonstrated in recent studies of colloidal particles and glass-forming metallic systems. One important question is whether a crystalline solid may directly melt into a sustainable metastable liquid. By thermal heating, a crystalline solid will always melt into a liquid above the melting point. Here we report that a high-pressure crystalline phase of bismuth can melt into a metastable liquid below the melting line through a decompression process. The decompression-induced metastable liquid can be maintained for hours in static conditions, and transform to crystalline phases when external perturbations, such as heating and cooling, are applied. It occurs in the pressure-temperature region similar to where the supercooled liquid Bi is observed. Akin to supercooled liquid, the pressure-induced metastable liquid may be more ubiquitous than we thought.

Berni Alder and Phase Transitions in Two Dimensions

Science.gov (United States)

Kosterlitz, J. Michael

I do not know Berni Alder as a person, but I feel that I know him well through his seminal paper "Phase Transition in Elastic Disks𠇍 by B. J. Alder and T. E. Wainwright [1962], which was essential in motivating David Thouless and myself to think about phase transitions in two dimensional systems with a continuous symmetry. In the early 1970's, the conventional wisdom was that a crystalline solid could not exist in a two dimensional world because of the rigorous Mermin-Wagner theorem prohibiting true long range translational order at any non-zero temperature. This contradiction was settled by the theory of dislocation mediated melting to an intermediate hexatic phase followed by a second transition to the isotropic fluid at a higher temperature. This scenario, with its associated sophisticated theory, seemed to settle the controversy of two dimensional melting once and for all. However, in our elation at understanding the fundamental physics and the essential excitations of melting in 2D, we had all forgotten that the early work of Berni Alder also showed that this melting involved a weak first order transition while theory now predicted melting by two successive continuous transitions with no discontinuity in area at the critical pressure. This discrepancy could be hand waved away by arguing that Berni's system was far too small and his computers far too slow so that the areal discontinuity could be due to finite size effects or to failing to equilibrate the system. Experiments were not able to resolve the order of the transitions, but seemed to agree quantitatively with theory…

Melting temperature of graphite

International Nuclear Information System (INIS)

Korobenko, V.N.; Savvatimskiy, A.I.

2001-01-01

Full Text: Pulse of electrical current is used for fast heating (∼ 1 μs) of metal and graphite specimens placed in dielectric solid media. Specimen consists of two strips (90 μm in thick) placed together with small gap so they form a black body model. Quasy-monocrystal graphite specimens were used for uniform heating of graphite. Temperature measurements were fulfilled with fast pyrometer and with composite 2-strip black body model up to melting temperature. There were fulfilled experiments with zirconium and tungsten of the same black body construction. Additional temperature measurements of liquid zirconium and liquid tungsten are made. Specific heat capacity (c P ) of liquid zirconium and of liquid tungsten has a common feature in c P diminishing just after melting. It reveals c P diminishing after melting in both cases over the narrow temperature range up to usual values known from steady state measurements. Over the next wide temperature range heat capacity for W (up to 5000 K) and Zr (up to 4100 K) show different dependencies of heat capacity on temperature in liquid state. The experiments confirmed a high quality of 2-strip black body model used for graphite temperature measurements. Melting temperature plateau of tungsten (3690 K) was used for pyrometer calibration area for graphite temperature measurement. As a result, a preliminary value of graphite melting temperature of 4800 K was obtained. (author)

Transitive probabilistic CLIR models.

NARCIS (Netherlands)

Kraaij, W.; de Jong, Franciska M.G.

2004-01-01

Transitive translation could be a useful technique to enlarge the number of supported language pairs for a cross-language information retrieval (CLIR) system in a cost-effective manner. The paper describes several setups for transitive translation based on probabilistic translation models. The

Quasi-liquid layer theory based on the bulk first-order phase transition

International Nuclear Information System (INIS)

Ryzhkin, I. A.; Petrenko, V. F.

2009-01-01

The theory of the superionic phase transition (bulk first-order transition) proposed in [1] is used to explain the existence of a quasi-liquid layer at an ice surface below its melting point. An analytical expression is derived for the quasi-liquid layer thickness. Numerical estimates are made and compared with experiment. Distinction is made between the present model and other quasi-liquid layer theories

Dynamics of Melting and Melt Migration as Inferred from Incompatible Trace Element Abundance in Abyssal Peridotites

Science.gov (United States)

Peng, Q.; Liang, Y.

2008-12-01

To better understand the melting processes beneath the mid-ocean ridge, we developed a simple model for trace element fractionation during concurrent melting and melt migration in an upwelling steady-state mantle column. Based on petrologic considerations, we divided the upwelling mantle into two regions: a double- lithology upper region where high permeability dunite channels are embedded in a lherzolite/harzburgite matrix, and a single-lithology lower region that consists of partially molten lherzolite. Melt generated in the single lithology region migrates upward through grain-scale diffuse porous flow, whereas melt in the lherzolite/harzburgite matrix in the double-lithology region is allowed to flow both vertically through the overlying matrix and horizontally into its neighboring dunite channels. There are three key dynamic parameters in our model: degree of melting experienced by the single lithology column (Fd), degree of melting experienced by the double lithology column (F), and a dimensionless melt suction rate (R) that measures the accumulated rate of melt extraction from the matrix to the channel relative to the accumulated rate of matrix melting. In terms of trace element fractionation, upwelling and melting in the single lithology column is equivalent to non-modal batch melting (R = 0), whereas melting and melt migration in the double lithology region is equivalent to a nonlinear combination of non-modal batch and fractional melting (0 abyssal peridotite, we showed, with the help of Monte Carlo simulations, that it is difficult to invert for all three dynamic parameters from a set of incompatible trace element data with confidence. However, given Fd, it is quite possible to constrain F and R from incompatible trace element abundances in residual peridotite. As an illustrative example, we used the simple melting model developed in this study and selected REE and Y abundance in diopside from abyssal peridotites to infer their melting and melt migration

Crystallization kinetics in Si-1 at%Sn during rapid solidification in undercooled melt

Science.gov (United States)

Kuribayashi, K.; Ozawa, S.; Nagayama, K.; Inatomi, Y.

2017-06-01

In order to elucidate the cause of the morphological transition of crystals growing in an undercooled melt of semiconducting materials, we carried out the containerless solidification of undoped Si and Si-1 at%Sn using a CO2 laser-equipped electromagnetic levitator (EML). The crystallization of these materials was successfully achieved under controlled undercooling. The relation between the shape of growing crystals and the degree of undercooling in Si-1 at%Sn was similar to that in undoped Si; that is, plate-like needle crystals were observed at low undercooling, whereas at medium and high undercooling the shape of growing crystals changed to massive dendrites. The grain-size of as-solidified samples of Si-1 at%Sn was remarkably small compared with that of undoped Si. The surface morphologies of samples solidified by dropping the melt onto a chill plate of mirror-polished silicon consisted of typical twin-related dendrites. On the other hand, samples that were dropped from the undercooled state consisted of twin-free dendrites. The nucleation rate of two-dimensional nuclei calculated on the basis of two mechanisms, which are the twin-plane re-entrant edge mechanism and the twin-free mechanism, suggested that the morphological transition to twin-free dendrites from twin-related dendrites occurs when the degree of undercooling becomes larger than the critical value. These results indicate that the cause of the morphological transition of Si growing in the undercooled melt is not the roughening transition of the crystal-melt interface but the transition of the nucleation kinetics to the twin-free mechanism from the twin-related mechanism.

Melt processing of Yb-123 tapes

International Nuclear Information System (INIS)

Athur, S. P.; Balachandran, U.; Salama, K.

2000-01-01

The innovation of a simple, scalable process for manufacturing long-length conductors of HTS is essential to potential commercial applications such as power cables, magnets, and transformers. In this paper the authors demonstrate that melt processing of Yb-123 tapes made by the PIT route is an alternative to the coated conductor and Bi-2223 PIT tape fabrication techniques. Ag-clad Yb-123 tapes were fabricated by groove rolling and subsequently, melt processed in different oxygen partial pressures in a zone-melting furnace with a gradient of 140 C/cm. The transition temperatures measured were found to be around 81 K undermost processing conditions. EPMA of the tapes processed under different conditions show the 123 phase to be Ba deficient and Cu and Yb rich. Critical current was measured at various temperatures from 77 K to 4.2 K. The J c increased with decrease in pO 2 . The highest I c obtained was 52 A at 4.2 K

Multiphysics modeling of selective laser sintering/melting

Science.gov (United States)

Ganeriwala, Rishi Kumar

A significant percentage of total global employment is due to the manufacturing industry. However, manufacturing also accounts for nearly 20% of total energy usage in the United States according to the EIA. In fact, manufacturing accounted for 90% of industrial energy consumption and 84% of industry carbon dioxide emissions in 2002. Clearly, advances in manufacturing technology and efficiency are necessary to curb emissions and help society as a whole. Additive manufacturing (AM) refers to a relatively recent group of manufacturing technologies whereby one can 3D print parts, which has the potential to significantly reduce waste, reconfigure the supply chain, and generally disrupt the whole manufacturing industry. Selective laser sintering/melting (SLS/SLM) is one type of AM technology with the distinct advantage of being able to 3D print metals and rapidly produce net shape parts with complicated geometries. In SLS/SLM parts are built up layer-by-layer out of powder particles, which are selectively sintered/melted via a laser. However, in order to produce defect-free parts of sufficient strength, the process parameters (laser power, scan speed, layer thickness, powder size, etc.) must be carefully optimized. Obviously, these process parameters will vary depending on material, part geometry, and desired final part characteristics. Running experiments to optimize these parameters is costly, energy intensive, and extremely material specific. Thus a computational model of this process would be highly valuable. In this work a three dimensional, reduced order, coupled discrete element - finite difference model is presented for simulating the deposition and subsequent laser heating of a layer of powder particles sitting on top of a substrate. Validation is provided and parameter studies are conducted showing the ability of this model to help determine appropriate process parameters and an optimal powder size distribution for a given material. Next, thermal stresses upon

Enthalpy model for heating, melting, and vaporization in laser ablation

OpenAIRE

Vasilios Alexiades; David Autrique

2010-01-01

Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu) target in a helium (He) background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model th...

Melting-curve extrema from a repulsive ''step'' potential

International Nuclear Information System (INIS)

Young, D.A.; Alder, B.J.

1977-01-01

Molecular dynamics calculations in two dimensions for particles interacting with a repulsive ''step'' potential show melting-curve maxima and minima as well as solid-solid phase transitions. These features are similar to those observed in the phase diagram of cesium and cerium

Mental models accurately predict emotion transitions.

Science.gov (United States)

Thornton, Mark A; Tamir, Diana I

2017-06-06

Successful social interactions depend on people's ability to predict others' future actions and emotions. People possess many mechanisms for perceiving others' current emotional states, but how might they use this information to predict others' future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others' emotional dynamics. People could then use these mental models of emotion transitions to predict others' future emotions from currently observable emotions. To test this hypothesis, studies 1-3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants' ratings of emotion transitions predicted others' experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation-valence, social impact, rationality, and human mind-inform participants' mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants' accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone.

Mental models accurately predict emotion transitions

Science.gov (United States)

Thornton, Mark A.; Tamir, Diana I.

2017-01-01

Successful social interactions depend on people’s ability to predict others’ future actions and emotions. People possess many mechanisms for perceiving others’ current emotional states, but how might they use this information to predict others’ future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others’ emotional dynamics. People could then use these mental models of emotion transitions to predict others’ future emotions from currently observable emotions. To test this hypothesis, studies 1–3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants’ ratings of emotion transitions predicted others’ experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation—valence, social impact, rationality, and human mind—inform participants’ mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants’ accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone. PMID:28533373

Level-Ice Melt Ponds in the Los Alamos Sea Ice Model, CICE

Science.gov (United States)

2012-12-06

terms obtained using the Bitz and Lips- comb (1999) thermodynamic model. The thickness distribution ( Thorndike et al., 1975) employs 5 ice thickness...D.L., 2004. A model of melt pond evolution on sea ice. J. Geophys. Res. 109, C12007. http://dx.doi.org/10.1029/2004JC002361. Thorndike , A.S., Rothrock

Effect of tellurium on viscosity and liquid structure of GaSb melts

Energy Technology Data Exchange (ETDEWEB)

Ji Leilei [School of Material Science and Engineering, Jinan University, Jinan 250022 (China); Geng Haoran [School of Material Science and Engineering, Jinan University, Jinan 250022 (China)], E-mail: mse_genghr@ujn.edu.cn; Sun Chunjing [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Teng Xinying; Liu Yamei [School of Material Science and Engineering, Jinan University, Jinan 250022 (China)

2008-04-03

The behavior of GaSb melt with tellurium addition was investigated using viscometer and differential scanning calorimetry (DSC). Normally, the viscosity of all melts measured decreased with the increasing temperature. However, anomalous transition points were observed in the temperature dependence of viscosity for Ga-Sb-Te system. Corresponded with the abnormal points on the viscosity-temperature curves, there were thermal effect peaks on the DSC curves. Furthermore, viscous activation energy and flow units of these melts and their structural features were discussed in this paper.

Size-dependent melting modes and behaviors of Ag nanoparticles: a molecular dynamics study

Science.gov (United States)

Liang, Tianshou; Zhou, Dejian; Wu, Zhaohua; Shi, Pengpeng

2017-12-01

The size-dependent melting behaviors and mechanisms of Ag nanoparticles (NPs) with diameters of 3.5-16 nm were investigated by molecular dynamics (MD). Two distinct melting modes, non-premelting and premelting with transition ranges of about 7-8 nm, for Ag NPs were demonstrated via the evolution of distribution and transition of atomic physical states during annealing. The small Ag NPs (3.5-7 nm) melt abruptly without a stable liquid shell before the melting point, which is characterized as non-premelting. A solid-solid crystal transformation is conducted through the migration of adatoms on the surface of Ag NPs with diameters of 3.5-6 nm before the initial melting, which is mainly responsible for slightly increasing the melting point of Ag NPs. On the other hand, surface premelting of Ag NPs with diameters of 8-16 nm propagates from the outer shell to the inner core with initial anisotropy and late isotropy as the temperature increases, and the close-packed facets {111} melt by a side-consumed way which is responsible for facets {111} melting in advance relative to the crystallographic plane {111}. Once a stable liquid shell is formed, its size-independent minimum thickness is obtained, and a three-layer structure of atomic physical states is set up. Lastly, the theory of point defect-pair (vacancy-interstitial) severing as the mechanism of formation and movement of the solid-liquid interface was also confirmed. Our study provides a basic understanding and theoretical guidance for the research, production and application of Ag NPs.

The Microwave Properties of Simulated Melting Precipitation Particles: Sensitivity to Initial Melting

Science.gov (United States)

Johnson, B. T.; Olson, W. S.; Skofronick-Jackson, G.

2016-01-01

A simplified approach is presented for assessing the microwave response to the initial melting of realistically shaped ice particles. This paper is divided into two parts: (1) a description of the Single Particle Melting Model (SPMM), a heuristic melting simulation for ice-phase precipitation particles of any shape or size (SPMM is applied to two simulated aggregate snow particles, simulating melting up to 0.15 melt fraction by mass), and (2) the computation of the single-particle microwave scattering and extinction properties of these hydrometeors, using the discrete dipole approximation (via DDSCAT), at the following selected frequencies: 13.4, 35.6, and 94.0GHz for radar applications and 89, 165.0, and 183.31GHz for radiometer applications. These selected frequencies are consistent with current microwave remote-sensing platforms, such as CloudSat and the Global Precipitation Measurement (GPM) mission. Comparisons with calculations using variable-density spheres indicate significant deviations in scattering and extinction properties throughout the initial range of melting (liquid volume fractions less than 0.15). Integration of the single-particle properties over an exponential particle size distribution provides additional insight into idealized radar reflectivity and passive microwave brightness temperature sensitivity to variations in size/mass, shape, melt fraction, and particle orientation.

Melting in super-earths.

Science.gov (United States)

Stixrude, Lars

2014-04-28

We examine the possible extent of melting in rock-iron super-earths, focusing on those in the habitable zone. We consider the energetics of accretion and core formation, the timescale of cooling and its dependence on viscosity and partial melting, thermal regulation via the temperature dependence of viscosity, and the melting curves of rock and iron components at the ultra-high pressures characteristic of super-earths. We find that the efficiency of kinetic energy deposition during accretion increases with planetary mass; considering the likely role of giant impacts and core formation, we find that super-earths probably complete their accretionary phase in an entirely molten state. Considerations of thermal regulation lead us to propose model temperature profiles of super-earths that are controlled by silicate melting. We estimate melting curves of iron and rock components up to the extreme pressures characteristic of super-earth interiors based on existing experimental and ab initio results and scaling laws. We construct super-earth thermal models by solving the equations of mass conservation and hydrostatic equilibrium, together with equations of state of rock and iron components. We set the potential temperature at the core-mantle boundary and at the surface to the local silicate melting temperature. We find that ancient (∼4 Gyr) super-earths may be partially molten at the top and bottom of their mantles, and that mantle convection is sufficiently vigorous to sustain dynamo action over the whole range of super-earth masses.

Quantum Hooke's Law to Classify Pulse Laser Induced Ultrafast Melting

Science.gov (United States)

Hu, Hao; Ding, Hepeng; Liu, Feng

2015-02-01

Ultrafast crystal-to-liquid phase transition induced by femtosecond pulse laser excitation is an interesting material's behavior manifesting the complexity of light-matter interaction. There exist two types of such phase transitions: one occurs at a time scale shorter than a picosecond via a nonthermal process mediated by electron-hole plasma formation; the other at a longer time scale via a thermal melting process mediated by electron-phonon interaction. However, it remains unclear what material would undergo which process and why? Here, by exploiting the property of quantum electronic stress (QES) governed by quantum Hooke's law, we classify the transitions by two distinct classes of materials: the faster nonthermal process can only occur in materials like ice having an anomalous phase diagram characterized with dTm/dP < 0, where Tm is the melting temperature and P is pressure, above a high threshold laser fluence; while the slower thermal process may occur in all materials. Especially, the nonthermal transition is shown to be induced by the QES, acting like a negative internal pressure, which drives the crystal into a ``super pressing'' state to spontaneously transform into a higher-density liquid phase. Our findings significantly advance fundamental understanding of ultrafast crystal-to-liquid phase transitions, enabling quantitative a priori predictions.

Finite element modeling of melting and fluid flow in the laser-heated diamond-anvil cell

Science.gov (United States)

Gomez-Perez, N.; Rodriguez, J. F.; McWilliams, R. S.

2017-04-01

The laser-heated diamond anvil cell is widely used in the laboratory study of materials behavior at high-pressure and high-temperature, including melting curves and liquid properties at extreme conditions. Laser heating in the diamond cell has long been associated with fluid-like motion in samples, which is routinely used to determine melting points and is often described as convective in appearance. However, the flow behavior of this system is poorly understood. A quantitative treatment of melting and flow in the laser-heated diamond anvil cell is developed here to physically relate experimental motion to properties of interest, including melting points and viscosity. Numerical finite-element models are used to characterize the temperature distribution, melting, buoyancy, and resulting natural convection in samples. We find that continuous fluid motion in experiments can be explained most readily by natural convection. Fluid velocities, peaking near values of microns per second for plausible viscosities, are sufficiently fast to be detected experimentally, lending support to the use of convective motion as a criterion for melting. Convection depends on the physical properties of the melt and the sample geometry and is too sluggish to detect for viscosities significantly above that of water at ambient conditions, implying an upper bound on the melt viscosity of about 1 mPa s when convective motion is detected. A simple analytical relationship between melt viscosity and velocity suggests that direct viscosity measurements can be made from flow speeds, given the basic thermodynamic and geometric parameters of samples are known.

Automated realization of the gallium melting and triple points

Science.gov (United States)

Yan, X.; Duan, Y.; Zhang, J. T.; Wang, W.

2013-09-01

In order to improve the automation and convenience of the process involved in realizing the gallium fixed points, an automated apparatus, based on thermoelectric and heat pipe technologies, was designed and developed. This paper describes the apparatus design and procedures for freezing gallium mantles and realizing gallium melting and triple points. Also, investigations on the melting behavior of a gallium melting point cell and of gallium triple point cells were carried out while controlling the temperature outside the gallium point cells at 30 °C, 30.5 °C, 31 °C, and 31.5 °C. The obtained melting plateau curves show dentate temperature oscillations on the melting plateaus for the gallium point cells when thermal couplings occurred between the outer and inner liquid-solid interfaces. The maximum amplitude of the temperature fluctuations was about 1.5 mK. Therefore, the temperature oscillations can be used to indicate the ending of the equilibrium phase transitions. The duration and amplitude of such temperature oscillations depend on the temperature difference between the setting temperature and the gallium point temperature; the smaller the temperature difference, the longer the duration of both the melting plateaus and the temperature fluctuations.

Flux lattice melting in high-Tc superconductors

International Nuclear Information System (INIS)

Houghton, A.; Pelcovits, R.A.; Sudbo, A.

1989-01-01

We derive the wave-vector-dependent elastic moduli for a flux line lattice in compounds with underlying tetragonal crystalline symmetry. We find that it is essential to retain wave-vector dependence of the moduli when dealing with compounds where κ is large, as it is in the high-T c materials. We use our results to establish a Lindemann criterion for flux lattice melting, which we then compare with experimental data on two materials, and find excellent agreement. The melting curves are suppressed well below the mean-field superconducting-normal transition line and are linear in temperature over a wide range of magnetic fields. The point H=0, T=T c is approached as 1-T/T c ∼H 1/2 . The degree of suppression of the melting curves among the different compounds is accounted for in the main by differences in mass anisotropy

Modeling radar backscattering from melting snowflakes using spheroids with nonuniform distribution of water

International Nuclear Information System (INIS)

Tyynelä, Jani; Leinonen, Jussi; Moisseev, Dmitri; Nousiainen, Timo; Lerber, Annakaisa von

2014-01-01

In a number of studies it is reported that at the early stages, melting of aggregate snowflakes is enhanced at lower parts. In this paper, the manifestation of the resulting nonuniform distribution of water is studied for radar backscattering cross sections at C, Ku, Ka and W bands. The melting particles are described as spheroids with a mixture of water and air at the bottom part of the particle and a mixture of ice and air at the upper part. The radar backscattering is modeled using the discrete-dipole approximation in a horizontally pointing geometry. The results are compared to the T-matrix method, Mie theory, and the Rayleigh approximation using the Maxwell Garnett mixing formula. We find that the differential reflectivity and the linear depolarization ratio show systematic differences between the discrete-dipole approximation and the T-matrix method, but that the differences are relatively small. The horizontal cross sections show only small differences between the methods with the aspect ratio and the presence of resonance peaks having a larger effect on it than the nonuniform distribution of water. Overall, the effect of anisotropic distribution of water, reported for early stages of melting, is not significant for radar observations at the studied frequencies. -- Highlights: • We model backscattering from spheroidal melting snowflakes at C, Ku, Ka, and W bands. • We study the effect of anisotropic distribution of meltwater in the snow particles. • We find systematic, but relatively small differences for the backscattering properties. • We find that the aspect ratio and resonance peaks have a bigger effect than anisotropic distribution of water. • Anisotropic distribution of water is not significant for radar observations at early stages of melting

Effect Of Turbulence Modelling In Numerical Analysis Of Melting Process In An Induction Furnace

Directory of Open Access Journals (Sweden)

Buliński P.

2015-09-01

Full Text Available In this paper, the velocity field and turbulence effects that occur inside a crucible of a typical induction furnace were investigated. In the first part of this work, a free surface shape of the liquid metal was measured in a ceramic crucible. Then a numerical model of aluminium melting process was developed. It took into account coupling of electromagnetic and thermofluid fields that was performed using commercial codes. In the next step, the sensitivity analysis of turbulence modelling in the liquid domain was performed. The obtained numerical results were compared with the measurement data. The performed analysis can be treated as a preliminary approach for more complex mathematical modelling for the melting process optimisation in crucible induction furnaces of different types.

The melting and solidification of nanowires

International Nuclear Information System (INIS)

Florio, B. J.; Myers, T. G.

2016-01-01

A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

The melting and solidification of nanowires

Science.gov (United States)

Florio, B. J.; Myers, T. G.

2016-06-01

A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

The melting and solidification of nanowires

Energy Technology Data Exchange (ETDEWEB)

Florio, B. J., E-mail: brendan.florio@ul.ie [University of Limerick, Mathematics Applications Consortium for Science and Industry (MACSI), Department of Mathematics and Statistics (Ireland); Myers, T. G., E-mail: tmyers@crm.cat [Centre de Recerca Matemàtica (Spain)

2016-06-15

A mathematical model is developed to describe the melting of nanowires. The first section of the paper deals with a standard theoretical situation, where the wire melts due to a fixed boundary temperature. This analysis allows us to compare with existing results for the phase change of nanospheres. The equivalent solidification problem is also examined. This shows that solidification is a faster process than melting; this is because the energy transfer occurs primarily through the solid rather than the liquid which is a poorer conductor of heat. This effect competes with the energy required to create new solid surface which acts to slow down the process, but overall conduction dominates. In the second section, we consider a more physically realistic boundary condition, where the phase change occurs due to a heat flux from surrounding material. This removes the singularity in initial melt velocity predicted in previous models of nanoparticle melting. It is shown that even with the highest possible flux the melting time is significantly slower than with a fixed boundary temperature condition.

Modelling the geometry of a moving laser melt pool and deposition track via energy and mass balances

Energy Technology Data Exchange (ETDEWEB)

Pinkerton, Andrew J; Li Lin [Laser Processing Research Centre, Department of Mechanical, Aerospace and Manufacturing Engineering, University of Manchester Institute of Science and Technology, PO Box 88, Sackville Street, Manchester M60 1QD (United Kingdom)

2004-07-21

The additive manufacturing technique of laser direct metal deposition allows multiple tracks of full density metallic material to be built to form complex parts for rapid tooling and manufacture. Practical results and theoretical models have shown that the geometries of the tracks are governed by multiple factors. Original work with single layer cladding identified three basic clad profiles but, so far, models of multiple layer, powder-feed deposition have been based on only two of them. At higher powder mass flow rates, experimental results have shown that a layer's width can become greater than the melt pool width at the substrate surface, but previous analytical models have not been able to accommodate this. In this paper, a model based on this third profile is established and experimentally verified. The model concentrates on mathematical analysis of the melt pool and establishes mass and energy balances based on one-dimensional heat conduction to the substrate. Deposition track limits are considered as arcs of circles rather than of ellipses, as used in most established models, reflecting the dominance of surface tension forces in the melt pool, and expressions for elongation of the melt pool with increasing traverse speed are incorporated. Trends in layer width and height with major process parameters are captured and predicted layer dimensions correspond well to the experimental values.

Vacuum transitions in dual models

International Nuclear Information System (INIS)

Pashnev, A.I.; Volkov, D.V.; Zheltukhin, A.A.

1976-01-01

The investigation is continued of the spontaneous vacuum transition problem in the Neview-Schwartz dual model (NSDM). It is shown that vacuum transitions allow disclosing of supplementary degeneration in the resonance state spectrum. The dual amplitudes possess an internal structure corresponding to the presence of an infinite number of quarks with increasing masses and retained charges. The Adler principle holds. Analytic continuation on the constant of induced vacuum transitions makes it possible to establish the existence of spontaneous vacuum transitions in the NSDM. The consequence of this fact is the exact SU(2) symmetry of π, rho meson trajectories and the Higgs mechanism in the model. In this case the ratios of masses of particles leading trajectories are analogous to those obtained in the current algebra. It is shown that in the NSDM there arises chiral SU(2) x SU(2) x U(1) x U(1) x ... symmetry resulting from spontaneous vacuum transitions

Effect of grain size on the melting point of confined thin aluminum films

Energy Technology Data Exchange (ETDEWEB)

Wejrzanowski, Tomasz; Lewandowska, Malgorzata; Sikorski, Krzysztof; Kurzydlowski, Krzysztof J. [Materials Design Division, Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland)

2014-10-28

The melting of aluminum thin film was studied by a molecular dynamics (MD) simulation technique. The effect of the grain size and type of confinement was investigated for aluminum film with a constant thickness of 4 nm. The results show that coherent intercrystalline interface suppress the transition of solid aluminum into liquid, while free-surface gives melting point depression. The mechanism of melting of polycrystalline aluminum thin film was investigated. It was found that melting starts at grain boundaries and propagates to grain interiors. The melting point was calculated from the Lindemann index criterion, taking into account only atoms near to grain boundaries. This made it possible to extend melting point calculations to bigger grains, which require a long time (in the MD scale) to be fully molten. The results show that 4 nm thick film of aluminum melts at a temperature lower than the melting point of bulk aluminum (933 K) only when the grain size is reduced to 6 nm.

Modelling present-day basal melt rates for Antarctic ice shelves using a parametrization of buoyant meltwater plumes

Science.gov (United States)

Lazeroms, Werner M. J.; Jenkins, Adrian; Hilmar Gudmundsson, G.; van de Wal, Roderik S. W.

2018-01-01

Basal melting below ice shelves is a major factor in mass loss from the Antarctic Ice Sheet, which can contribute significantly to possible future sea-level rise. Therefore, it is important to have an adequate description of the basal melt rates for use in ice-dynamical models. Most current ice models use rather simple parametrizations based on the local balance of heat between ice and ocean. In this work, however, we use a recently derived parametrization of the melt rates based on a buoyant meltwater plume travelling upward beneath an ice shelf. This plume parametrization combines a non-linear ocean temperature sensitivity with an inherent geometry dependence, which is mainly described by the grounding-line depth and the local slope of the ice-shelf base. For the first time, this type of parametrization is evaluated on a two-dimensional grid covering the entire Antarctic continent. In order to apply the essentially one-dimensional parametrization to realistic ice-shelf geometries, we present an algorithm that determines effective values for the grounding-line depth and basal slope in any point beneath an ice shelf. Furthermore, since detailed knowledge of temperatures and circulation patterns in the ice-shelf cavities is sparse or absent, we construct an effective ocean temperature field from observational data with the purpose of matching (area-averaged) melt rates from the model with observed present-day melt rates. Our results qualitatively replicate large-scale observed features in basal melt rates around Antarctica, not only in terms of average values, but also in terms of the spatial pattern, with high melt rates typically occurring near the grounding line. The plume parametrization and the effective temperature field presented here are therefore promising tools for future simulations of the Antarctic Ice Sheet requiring a more realistic oceanic forcing.

Gas Atomization of Aluminium Melts: Comparison of Analytical Models

Directory of Open Access Journals (Sweden)

Georgios Antipas

2012-06-01

Full Text Available A number of analytical models predicting the size distribution of particles during atomization of Al-based alloys by N2, He and Ar gases were compared. Simulations of liquid break up in a close coupled atomizer revealed that the finer particles are located near the center of the spray cone. Increasing gas injection pressures led to an overall reduction of particle diameters and caused a migration of the larger powder particles towards the outer boundary of the flow. At sufficiently high gas pressures the spray became monodisperse. The models also indicated that there is a minimum achievable mean diameter for any melt/gas system.

Using an Ablation Gradient Model to Characterize Annual Glacial Melt Contribution to Major Rivers in High Asia

Science.gov (United States)

Brodzik, M. J.; Armstrong, R. L.; Khalsa, S. J. S.; Painter, T. H.; Racoviteanu, A.; Rittger, K.

2014-12-01

Ice melt from mountain glaciers can represent a significant contribution to freshwater hydrological budgets, along with seasonal snow melt, rainfall and groundwater. In the rivers of High Asia, understanding the proportion of glacier ice melt is critical for water resource management of irrigation and planning for hydropower generation and human consumption. Current climate conditions are producing heterogeneous glacier responses across the Hindu Kush-Karakoram-Himalayan ranges. However, it is not yet clear how contrasting glacier patterns affect regional water resources. For example, in the Upper Indus basin, estimates of glacial contribution to runoff are often not distinguished from seasonal snow contribution, and vary widely, from as little as 15% to as much as 55%. While many studies are based on reasonable concepts, most are based on assumptions uninformed by actual snow or ice cover measurements. While straightforward temperature index models have been used to estimate glacier runoff in some Himalayan basins, application of these models in larger Himalayan basins is limited by difficulties in estimating key model parameters, particularly air temperature. Estimating glacial area from the MODIS Permanent Snow and Ice Extent (MODICE) product for the years 2000-2013, with recently released Shuttle Radar Topography Mission (SRTMGL3) elevation data, we use a simple ablation gradient approach to calculate an upper limit on the contribution of clean glacier ice melt to streamflow data. We present model results for the five major rivers with glaciated headwaters in High Asia: the Bramaputra, Ganges, Indus, Amu Darya and Syr Darya. Using GRDC historical discharge records, we characterize the annual contribution from glacier ice melt. We use MODICE interannual trends in each basin to estimate glacier ice melt uncertainties. Our results are being used in the USAID project, Contribution to High Asia Runoff from Ice and Snow (CHARIS), to inform regional-scale planning for

Considerations in modelling the melting of fuel containing fission products and solute oxides

International Nuclear Information System (INIS)

Akbari, F.; Welland, M.J.; Lewis, B.J.; Thompson, W.T.

2005-01-01

It is well known that the oxidation of a defected fuel element by steam gives rise to an increase in O/U ratio with a consequent lowering of the incipient melting temperature. Concurrently, the hyperstoichiometry reduces the thermal conductivity thereby raising the centerline fuel pellet temperature for a fixed linear power. The development of fission products soluble in the UO 2 phase or, more important, the deliberate introduction of additive oxides in advanced CANDU fuel bundle designs further affects and generally lowers the incipient melting temperature. For these reasons, the modeling of the molten (hyperstoichiometric) UO 2 phase containing several solute oxides (ZrO 2 , Ln 2 O 3 and AnO 2 ) is advancing in the expectation of developing a moving boundary heat and mass transfer model aimed at better defining the limits of safe operating practice as burnup advances. The paper describes how the molten phase stability model is constructed. The redistribution of components across the solid-liquid interface that attends the onset of melting of a non-stoichiometric UO 2 containing several solutes will be discussed. The issues of how to introduce boundary conditions into heat transfer calculations consistent with the requirements of the Phase Rule will be addressed. The Stefan problem of a moving boundary associated with the solid/liquid interface sets this treatment apart from conventional heat and mass transfer problems. (author)

Applying of isoconversional analysis to calorimetric data on the gel melting

Science.gov (United States)

Dranca, I.; Lupascu, T.; Povar, I.

2012-02-01

The present study is concerned to the thermal stability of gelatin gels that is defined that their resistance to melting or, in other words, to the thermally stimulated transitions from gel to sol. The both sol-gel and gel-sol transitions were followed by regular Mettler-Toledo DSC 823e and stochastically modulated multi-frequency DSC (TOPEM® by Mettler-Toledo). The DSC data have been treated by using an advanced isoconversional method developed by Vyazovkin [1,2]. The method allows revealing a variation in the effective activation energy (Eα) with the extent of conversion (α). It has been discovered that an increase in the concentration of gelatin solutions causes an increase in the energy barrier to melting of non-isothermally prepared gels.

The interaction of a core melt with concrete

International Nuclear Information System (INIS)

Reimann, M.; Holleck, H.; Skokan, A.; Perinic, D.

1977-01-01

In its fourth phase, a hypothetic core melt interacts with the concrete of the reactor foundation. This phase may last several days. Experimental laboratory investigations and theoretical models on the basis of model experiments aim at determining the time curve of the temperature of the core melt in order to quantify the processes up to the solidification of the melt and the end of concrete destroyal. Material interactions: 1) The two phases of the core melt, oxidic and metallic, remain separate for a long period of time. In dependence of the degree of oxidation of the system, the elemental distribution and, in particular, the fission products in the melt may be assessed. 2) The changes in the material values of the core melt in dependence of the temperature curve may be qualitatively assessed. 3) The solidification temperature of the oxidic phase of the core melt may be given in dependence of (UO 2 + ZrO 2 ) content. Thermal interactions: 1) The ratio vertical/radial erosion, which determines the cavity shape, is described in the correct order of magnitude by the extended film model. 2) The correct order of magnitude of the erosion rates is described by the concrete destruction model coupled with the film model. 3) The effects of the different concrete destruction enthalpies and concrete compositions (amount of gaseous decomposition products) may be estimated by the model calculations. (orig./HP) [de

Correlation-based Transition Modeling for External Aerodynamic Flows

Science.gov (United States)

Medida, Shivaji

Conventional turbulence models calibrated for fully turbulent boundary layers often over-predict drag and heat transfer on aerodynamic surfaces with partially laminar boundary layers. A robust correlation-based model is developed for use in Reynolds-Averaged Navier-Stokes simulations to predict laminar-to-turbulent transition onset of boundary layers on external aerodynamic surfaces. The new model is derived from an existing transition model for the two-equation k-omega Shear Stress Transport (SST) turbulence model, and is coupled with the one-equation Spalart-Allmaras (SA) turbulence model. The transition model solves two transport equations for intermittency and transition momentum thickness Reynolds number. Experimental correlations and local mean flow quantities are used in the model to account for effects of freestream turbulence level and pressure gradients on transition onset location. Transition onset is triggered by activating intermittency production using a vorticity Reynolds number criterion. In the new model, production and destruction terms of the intermittency equation are modified to improve consistency in the fully turbulent boundary layer post-transition onset, as well as ensure insensitivity to freestream eddy viscosity value specified in the SA model. In the original model, intermittency was used to control production and destruction of turbulent kinetic energy. Whereas, in the new model, only the production of eddy viscosity in SA model is controlled, and the destruction term is not altered. Unlike the original model, the new model does not use an additional correction to intermittency for separation-induced transition. Accuracy of drag predictions are improved significantly with the use of the transition model for several two-dimensional single- and multi-element airfoil cases over a wide range of Reynolds numbers. The new model is able to predict the formation of stable and long laminar separation bubbles on low-Reynolds number airfoils that

Evolution of ocean-induced ice melt beneath Zachariæ Isstrøm, Northeast Greenland combining observations and an ocean general circulation model from 1978 to present

Science.gov (United States)

Cai, C.; Rignot, E. J.; Menemenlis, D.; Millan, R.; Bjørk, A. A.; Khan, S. A.; Charolais, A.

2017-12-01

Zachariæ Isstrøm, a major ice stream in northeast Greenland, lost a large fraction of its ice shelf during the last decade. We study the evolution of subaqueous melting of its floating section from 1978 to present. The ice shelf melt rate depends on thermal forcing from warm, salty, subsurface ocean waters of Atlantic origin (AW), the mixing of AW with fresh, buoyant subglacial discharge at the calving margin, and the shape of the sub-ice-shelf cavity. Subglacial discharge doubled as a result of enhanced ice sheet runoff caused by warmer air temperatures. Ocean thermal forcing has increased due to enhanced advection of AW. Using an Eulerian method, MEaSUREs ice velocity, Operation IceBridge (OIB) ice thickness, and RACMO2.3 surface balance data, we evaluate the ice shelf melt rate in 1978, 1999 and 2010. The melt rate doubled from 1999 to 2010. Using a Lagrangian method with World View imagery, we map the melt rate in detail from 2011 to 2016. We compare the results with 2D simulations from the Massachusetts Institute of Technology general circulation model (MITgcm), at a high spatial resolution (20-m horizontal and 40-m vertical grid spacing), using OIB ice thickness and sub-ice-shelf cavity for years 1978, 1996, 2010 and 2011, combined with in-situ ocean temperature/salinity data from Ocean Melting Greenland (OMG) 2017. We find that winter melt rates are 2 3 times smaller than summer rates and melt rates increase by one order magnitude during the transition from ice shelf termination to near-vertical calving wall termination. As the last remaining bits of floating ice shelf disappear, ice-ocean interaction will therefore play an increasing role in driving the glacier retreat into its marine-based basin. This work was performed under a contract with NASA Cryosphere Program at UC Irvine and Caltech's Jet Propulsion Laboratory.

Design, fabrication, and evaluation of a partially melted ice particle cloud facility

Science.gov (United States)

Soltis, Jared T.

% melt to 3°C at 90%. There were two types of ice accretion with a transition zone in between. The first type of ice was opaque in color and had a rough surface. This ice occurred roughly from 6.0°C to 12.0°C duct temperatures (8% to 50% melt). The qualitative characteristics of the ice were produced from the low water content in the cloud. The water that was available froze instantly and trapped ice particle. Duct temperatures greater than 17.5°C (80% melt) produced ice that was clear and smooth. The water in the surface did not freeze instantly due to the high water content creating a water film that froze. A mixed-phase cloud dynamics model from NASA Glenn was used to estimate the percent melt of the cloud exiting the duct. There was no way to validate the model by directly measuring the percent melt of the cloud, so single particle melt experiments were conducted and compared to the model. A 0.05g/L solution of rhodamine b was sprayed into a levitator and droplets formed at the nodes of the wave. A 532nm green laser was used to illuminate the dye, and the water emitted orange 593nm light given the luminescent properties of the ink. The emitted light intensity was recorded, and a linear relationship between the light intensity of ice to the light intensity of water was used to determine the percent melt of a droplet. The droplets were frozen with a cold flow of nitrogen gas via a liquid nitrogen heat exchanger. The droplets melted under natural convection when the cold nitrogen was shut off. Fifteen cases were compared with droplet diameters ranging from 324mum to 1112mum, air temperatures from 16°C to 31°C, and relative humidities from 41% to 100%. The average discrepancy between predictions and results for the cases that melted slower than ten seconds was 13% while the cases that melted faster than 10 second had 64% discrepancy between the model and experiment. To explain the discrepancy between the experiment and model, sensitivity studies of the model were

Dual structural transition in small nanoparticles of Cu-Au alloy

Science.gov (United States)

Gafner, Yuri; Gafner, Svetlana; Redel, Larisa; Zamulin, Ivan

2018-02-01

Cu-Au alloy nanoparticles are known to be widely used in the catalysis of various chemical reactions as it was experimentally defined that in many cases the partial substitution of copper with gold increases catalytic activity. However, providing the reaction capacity of alloy nanoparticles the surface electronic structure strongly depends on their atomic ordering. Therefore, to theoretically determine catalytic properties, one needs to use a most real structural model complying with Cu-Au nanoparticles under various external influences. So, thermal stability limits were studied for the initial L12 phase in Cu3Au nanoalloy clusters up to 8.0 nm and Cu-Au clusters up to 3.0 nm at various degrees of Au atom concentration, with molecular dynamics method using a modified tight-binding TB-SMA potential. Dual structural transition L12 → FCC and further FCC → Ih is shown to be possible under the thermal factor in Cu3Au and Cu-Au clusters with the diameter up to 3.0 nm. The temperature of the structural transition FCC → Ih is established to decrease for small particles of Cu-Au alloy under the increase of Au atom concentration. For clusters with this structural transition, the melting point is found to be a linear increasing function of concentration, and for clusters without FCC → Ih structural transition, the melting point is a linear decreasing function of Au content. Thus, the article shows that doping Cu nanoclusters with Au atoms allows to control the forming structure as well as the melting point.

Mixed-order phase transition in a one-dimensional model.

Science.gov (United States)

Bar, Amir; Mukamel, David

2014-01-10

We introduce and analyze an exactly soluble one-dimensional Ising model with long range interactions that exhibits a mixed-order transition, namely a phase transition in which the order parameter is discontinuous as in first order transitions while the correlation length diverges as in second order transitions. Such transitions are known to appear in a diverse classes of models that are seemingly unrelated. The model we present serves as a link between two classes of models that exhibit a mixed-order transition in one dimension, namely, spin models with a coupling constant that decays as the inverse distance squared and models of depinning transitions, thus making a step towards a unifying framework.

Disorder effect on heat capacity, self-diffusion coefficient, and choosing best potential model for melting temperature, in gold–copper bimetallic nanocluster with 55 atoms

International Nuclear Information System (INIS)

Taherkhani, Farid; Akbarzadeh, Hamed; Feyzi, Mostafa; Rafiee, Hamid Reza

2015-01-01

Molecular dynamics simulation has been implemented for doping effect on melting temperature, heat capacity, self-diffusion coefficient of gold–copper bimetallic nanostructure with 55 total gold and copper atom numbers and its bulk alloy. Trend of melting temperature for gold–copper bimetallic nanocluster is not same as melting temperature copper–gold bulk alloy. Molecular dynamics simulation of our result regarding bulk melting temperature is consistence with available experimental data. Molecular dynamics simulation shows that melting temperature of gold–copper bimetallic nanocluster increases with copper atom fraction. Semi-empirical potential model and quantum Sutton–Chen potential models do not change melting temperature trend with copper doping of gold–copper bimetallic nanocluster. Self-diffusion coefficient of copper atom is greater than gold atom in gold–copper bimetallic nanocluster. Semi-empirical potential within the tight-binding second moment approximation as new application potential model for melting temperature of gold–copper bulk structure shows better result in comparison with EAM, Sutton–Chen potential, and quantum Sutton–Chen potential models

Disorder effect on heat capacity, self-diffusion coefficient, and choosing best potential model for melting temperature, in gold–copper bimetallic nanocluster with 55 atoms

Energy Technology Data Exchange (ETDEWEB)

Taherkhani, Farid, E-mail: faridtaherkhani@gmail.com, E-mail: f.taherkhani@razi.ac.ir [Razi University, Department of Physical Chemistry (Iran, Islamic Republic of); Akbarzadeh, Hamed [Hakim Sabzevari University, Department of Chemistry (Iran, Islamic Republic of); Feyzi, Mostafa; Rafiee, Hamid Reza [Razi University, Department of Physical Chemistry (Iran, Islamic Republic of)

2015-01-15

Molecular dynamics simulation has been implemented for doping effect on melting temperature, heat capacity, self-diffusion coefficient of gold–copper bimetallic nanostructure with 55 total gold and copper atom numbers and its bulk alloy. Trend of melting temperature for gold–copper bimetallic nanocluster is not same as melting temperature copper–gold bulk alloy. Molecular dynamics simulation of our result regarding bulk melting temperature is consistence with available experimental data. Molecular dynamics simulation shows that melting temperature of gold–copper bimetallic nanocluster increases with copper atom fraction. Semi-empirical potential model and quantum Sutton–Chen potential models do not change melting temperature trend with copper doping of gold–copper bimetallic nanocluster. Self-diffusion coefficient of copper atom is greater than gold atom in gold–copper bimetallic nanocluster. Semi-empirical potential within the tight-binding second moment approximation as new application potential model for melting temperature of gold–copper bulk structure shows better result in comparison with EAM, Sutton–Chen potential, and quantum Sutton–Chen potential models.

The generalized model of polypeptide chain describing the helix-coil transition in biopolymers

International Nuclear Information System (INIS)

Mamasakhlisov, E.S.; Badasyan, A.V.; Tsarukyan, A.V.; Grigoryan, A.V.; Morozov, V.F.

2005-07-01

In this paper we summarize some results of our theoretical investigations of helix-coil transition both in single-strand (polypeptides) and two-strand (polynucleotides) macromolecules. The Hamiltonian of the Generalized Model of Polypeptide Chain (GMPC) is introduced to describe the system in which the conformations are correlated over some dimensional range Δ (it equals 3 for polypeptide, because one H-bond fixes three pairs of rotation, for double strand DNA it equals to one chain rigidity because of impossibility of loop formation on the scale less than Δ). The Hamiltonian does not contain any parameter designed especially for helix-coil transition and uses pure molecular microscopic parameters (the energy of hydrogen bond formation, reduced partition function of repeated unit, the number of repeated units fixed by one hydrogen bond, the energies of interaction between the repeated units and the solvent molecules). To calculate averages we evaluate the partition function using the transfer-matrix approach. The GMPC allowed to describe the influence of a number of factors, affecting the transition, basing on a unified microscopic approach. Thus we obtained, that solvents change transition temperature and interval in different ways, depending on type of solvent and on energy of solvent- macromolecule interaction; stacking on the background of H-bonding increases stability and decreases cooperativity of melting. For heterogeneous DNA we could analytically derive well known formulae for transition temperature and interval. In the framework of GMPC we calculate and show the difference of two order parameters of helix-coil transition - the helicity degree, and the average fraction of repeated units in helical conformation. Given article has the aim to review the results obtained during twenty years in the context of GMPC. (author)

Correlation for downward melt penetration into a miscible low-density substrate

International Nuclear Information System (INIS)

Fang, L.J.; Cheung, F.B.; Pedersen, D.R.; Linehan, J.H.

1984-01-01

Downward penetration of a sacrificial bed material or a concrete basemat structure by an overlying layer of core melt resulting from a hypothetical core disruptive accident has been a major issue in post accident heat removal studies. One characteristic feature of this problem is that the solid substrate, when molten, is miscible with and lighter than the core melt so that the rate of penetration is strongly dependent upon the motion of natural convection in the melt layer driven by the density difference between the core melt and the molten substrate. This fundamentally interesting and technologically important problem has been investigated by a number of researchers. Significantly different melting rates, however, were observed in these studies. Questions concerning the occurrence of flow transition and its effect on melt penetration remain to be answered. To promote the understanding of the phenomena and to strengthen the data base of melt penetration, simulation experiments were conducted using various kinds of salt solutions (KI, NaCl, CaCl 2 , and MgCl 2 solutions) as the working fluid and an air-bubble-free ice slab as the solid substrate

Eddy-resolving simulations of the Fimbul Ice Shelf cavity circulation: Basal melting and exchange with open ocean

Science.gov (United States)

Hattermann, T.; Smedsrud, L. H.; Nøst, O. A.; Lilly, J. M.; Galton-Fenzi, B. K.

2014-10-01

Melting at the base of floating ice shelves is a dominant term in the overall Antarctic mass budget. This study applies a high-resolution regional ice shelf/ocean model, constrained by observations, to (i) quantify present basal mass loss at the Fimbul Ice Shelf (FIS); and (ii) investigate the oceanic mechanisms that govern the heat supply to ice shelves in the Eastern Weddell Sea. The simulations confirm the low melt rates suggested by observations and show that melting is primarily determined by the depth of the coastal thermocline, regulating deep ocean heat fluxes towards the ice. Furthermore, the uneven distribution of ice shelf area at different depths modulates the melting response to oceanic forcing, causing the existence of two distinct states of melting at the FIS. In the simulated present-day state, only small amounts of Modified Warm Deep Water enter the continental shelf, and ocean temperatures beneath the ice are close to the surface freezing point. The basal mass loss in this so-called state of "shallow melting" is mainly controlled by the seasonal inflow of solar-heated surface water affecting large areas of shallow ice in the upper part of the cavity. This is in contrast to a state of "deep melting", in which the thermocline rises above the shelf break depth, establishing a continuous inflow of Warm Deep Water towards the deep ice. The transition between the two states is found to be determined by a complex response of the Antarctic Slope Front overturning circulation to varying climate forcings. A proper representation of these frontal dynamics in climate models will therefore be crucial when assessing the evolution of ice shelf basal melting along this sector of Antarctica.

Melting of iron at the Earth's core conditions by molecular dynamics simulation

Directory of Open Access Journals (Sweden)

Y. N. Wu

2011-09-01

Full Text Available By large scale molecular dynamics simulations of solid-liquid coexistence, we have investigated the melting of iron under pressures from 0 to 364 GPa. The temperatures of liquid and solid regions, and the pressure of the system are calculated to estimate the melting point of iron. We obtain the melting temperature of iron is about 6700±200K under the inner-outer core boundary, which is in good agreement with the result of Alfè et al. By the pair analysis technique, the microstructure of liquid iron under higher pressures is obviously different from that of lower pressures and ambient condition, indicating that the pressure-induced liquid-liquid phase transition may take place in iron melts.

Bond particle model for semiconductor melts and its application to liquid structure germanium

International Nuclear Information System (INIS)

Ferrante, A.; Tosi, M.P.

1988-08-01

A simple type of liquid state model is proposed to describe on a primitive level the melt of an elemental group IV semiconductor as a mixture of atoms and bond particles. The latter, on increase of a coupling strength parameter becomes increasingly localized between pairs of atoms up to local tetrahedral coordination of atoms by bond particles. Angular interatomic correlations are built into the model as bond particle localization grows, even though the bare interactions between the components of the liquid are formally described solely in terms of central pair potentials. The model is solved for liquid structure by standard integral equation techniques of liquid state theory and by Monte Carlo simulation, for values of the parameters which are appropriate to liquid germanium down to strongly supercooled states. The calculated liquid structure is compared with the results of diffraction experiments on liquid germanium near freezing and discussed in relation to diffraction data on amorphous germanium. The model suggests simple melting criteria for elemental and polar semiconductors, which are empirically verified. (author). 25 refs, 9 figs, 3 tabs

Universal viscosity growth in metallic melts at megabar pressures: the vitreous state of the Earth's inner core

International Nuclear Information System (INIS)

Brazhkin, Vadim V; Lyapin, A G

2000-01-01

Experimental data on and theoretical models for the viscosity of various types of liquids and melts under pressure are reviewed. Experimentally, the least studied melts are those of metals, whose viscosity is considered to be virtually constant along the melting curve. The authors' new approach to the viscosity of melts involves the measurement of the grain size in solidified samples. Measurements on liquid metals at pressures up to 10 GPa using this method show, contrary to the empirical approach, that the melt viscosity grows considerably along the melting curves. Based on the experimental data and on the critical analysis of current theories, a hypothesis of a universal viscosity behavior is introduced for liquids under pressure. Extrapolating the liquid iron results to the pressures and temperatures at the Earth's core reveals that the Earth's outer core is a very viscous melt with viscosity values ranging from 10 2 Pa s to 10 11 Pa s depending on the depth. The Earth's inner core is presumably an ultraviscous (>10 11 Pa s) glass-like liquid - in disagreement with the current idea of a crystalline inner core. The notion of the highly viscous interior of celestial bodies sheds light on many mysteries of planetary geophysics and astronomy. From the analysis of the pressure variation of the melting and glass-transition temperatures, an entirely new concept of a stable metallic vitreous state arises, calling for further experimental and theoretical study. (reviews of topical problems)

Melting of short 1-alcohol monolayers on water: Thermodynamics and x-ray scattering studies

DEFF Research Database (Denmark)

Berge, B.; Konovalov, O.; Lajzerowicz, J.

1994-01-01

From surface tension measurements we extract the melting entropy Delta S-2D of fatty-alcohol monolayers on water. Delta S-2D is found to be 4(kB)/mol lower than in the bulk. Because of the role of the conformational entropy, the melting transition is discontinuous for long chains, but tends to be...

Renormalization group study of the melting of a two-dimensional system of collapsing hard disks

Science.gov (United States)

Ryzhov, V. N.; Tareyeva, E. E.; Fomin, Yu. D.; Tsiok, E. N.; Chumakov, E. S.

2017-06-01

We consider the melting of a two-dimensional system of collapsing hard disks (a system with a hard-disk potential to which a repulsive step is added) for different values of the repulsive-step width. We calculate the system phase diagram by the method of the density functional in crystallization theory using equations of the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young theory to determine the lines of stability with respect to the dissociation of dislocation pairs, which corresponds to the continuous transition from the solid to the hexatic phase. We show that the crystal phase can melt via a continuous transition at low densities (the transition to the hexatic phase) with a subsequent transition from the hexatic phase to the isotropic liquid and via a first-order transition. Using the solution of renormalization group equations with the presence of singular defects (dislocations) in the system taken into account, we consider the influence of the renormalization of the elastic moduli on the form of the phase diagram.

Modelling of heat transfer between molten core and concrete with account of phase changes in the melt

International Nuclear Information System (INIS)

Petukhov, S.M.; Zemlianoukhin, V.V.

1992-01-01

The analysis of the process of heat transfer between molten corium and concrete in the case of severe accident in a PWR is performed. It is shown that Bradley's model may be improved for the case of an oxidic melt. A new model is developed and incorporated in the WECHSL-Mod2 Code. Post-test calculations of melt-concrete interaction experiments are carried out. The comparison and analysis of the experimental results and calculations are presented. (9 figures) (Author)

The coupled response to slope-dependent basal melting

Science.gov (United States)

Little, C. M.; Goldberg, D. N.; Sergienko, O. V.; Gnanadesikan, A.

2009-12-01

Ice shelf basal melting is likely to be strongly controlled by basal slope. If ice shelves steepen in response to intensified melting, it suggests instability in the coupled ice-ocean system. The dynamic response of ice shelves governs what stable morphologies are possible, and thus the influence of melting on buttressing and grounding line migration. Simulations performed using a 3-D ocean model indicate that a simple form of slope-dependent melting is robust under more complex oceanographic conditions. Here we utilize this parameterization to investigate the shape and grounding line evolution of ice shelves, using a shallow-shelf approximation-based model that includes lateral drag. The distribution of melting substantially affects the shape and aspect ratio of unbuttressed ice shelves. Slope-dependent melting thins the ice shelf near the grounding line, reducing velocities throughout the shelf. Sharp ice thickness gradients evolve at high melting rates, yet grounding lines remain static. In foredeepened, buttressed ice shelves, changes in grounding line flux allow two additional options: stable or unstable retreat. Under some conditions, slope-dependent melting results in stable configurations even at high melt rates.

Modelling the energy transition in cities

Energy Technology Data Exchange (ETDEWEB)

Huber, Felix [Wuppertal Univ. (Germany). Dept. of Civil Engineering; Schwarze, Bjoern; Spiekermann, Klaus; Wegener, Michael [Spiekermann und Wegener Urban and Regional Research, Dortmund (Germany)

2013-09-01

The history of cities is a history of energy transitions. In the medieval city heating and cooking occurred with wood and peat. The growth of the industrial city in the 19th century was built on coal and electricity. The sprawling metropolis of the 20th century was made possible by oil and gas. How will the city of the 21st century look after the next energy transition from fossil to renewable energy? This paper reports on the extension of an urban land-use transport interaction model to a model of the energy transition in the Ruhr Area, a five-million agglomeration in Germany. The paper presents the planned model extensions and how they are to be integrated into the model and shows first preliminary results.

A Conceptual Model for Leadership Transition

Science.gov (United States)

Manderscheid, Steven V.; Ardichvili, Alexandre

2008-01-01

The purpose of this study was to develop a model of leadership transition based on an integrative review of literature. The article establishes a compelling case for focusing on leadership transitions as an area for study and leadership development practitioner intervention. The proposed model in this study identifies important success factors…

Evolutionary modelling of transitions to sustainable development

International Nuclear Information System (INIS)

Safarzynska, K.

2010-01-01

This thesis has examined how evolutionary economics can contribute to modelling the micromechanisms that underlie transitions towards sustainable development. In general, transitions are fundamental or structural system changes. They involve, or even require, escaping lock-in of dominant, environmentally unsustainable technologies, introducing major technical or social innovations, and changing prevailing social practices and structures. Due to the complexity of socioeconomic interactions, it is not always possible to identify, and thus target with appropriate policy instruments, causes of specific unsustainable patterns of behaviour. Formal modelling exercises can help improve our understanding of the interaction of various transition mechanisms which are otherwise difficult to grasp intuitively. They allow exploring effects of policy interventions in complex systems. However, existing models of transitions focus on social phenomena and seldom address economic problems. As opposed, mainstream (neoclassical) economic models of technological change do not account for social interactions, and changing heterogeneity of users and their perspectives - even though all of these can influence the direction of innovations and patterns of socio-technological development. Evolutionary economics offers an approach that goes beyond neoclassical economics - in the sense of employing more realistic assumptions regarding the behaviour and heterogeneity of consumers, firms and investors. It can complement current transition models by providing them with a better understanding of associated economic dynamics. In this thesis, formal models were proposed to illustrate the usefulness of a range of evolutionary-economic techniques for modelling transitions. Modelling exercises aimed to explain the core properties of socio-economic systems, such as lock-in, path-dependence, coevolution, group selection and recombinant innovation. The studies collected in this dissertation illustrate that

Enthalpy model for heating, melting, and vaporization in laser ablation

Directory of Open Access Journals (Sweden)

Vasilios Alexiades

2010-09-01

Full Text Available Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu target in a helium (He background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model that connects the thermodynamics and underlying kinetics of this challenging phase change problem in a self-consistent way.

Evaluation of errors in determination of DNA melting curve registered with differential scanning calorimetry

International Nuclear Information System (INIS)

Lando, D.Y.; Fridman, A.S.; Galyuk, E.N.; Dalyan, Y.B.; Grigoryan, I.E.; Haroutiunian, S.G.

2013-01-01

The differential scanning calorimetry (DSC) is more sensitive than UV absorption spectrophotometry as a tool for the measurement of DNA melting curves. The advantage of DSC is a direct determination of differential melting curves (DMC) obtained without numerical differentiation. However, the difference between the helix-coil transition enthalpies of AT and GC base pairs can cause distortions in the shape of melting curve. Up to date, the errors caused by those distortions were not evaluated. In this study, a simple procedure of recalculation of a calorimetric DMC into a real DMC is developed. It demonstrates that the 'real' melting curve and differential melting curve deviate very slightly from the same two curves calculated from DSC data. The melting temperature and the temperature melting range are usually the same even if the difference in the enthalpies is several times higher than a real one

2D model for melt progression through rods and debris

International Nuclear Information System (INIS)

Fichot, F.

2001-01-01

During the degradation of a nuclear core in a severe accident scenario, the high temperatures reached lead to the melting of materials. The formation of liquid mixtures at various elevations is followed by the flow of molten materials through the core. Liquid mixture may flow under several configurations: axial relocation along the rods, horizontal motion over a plane surface such as the core support plate or a blockage of material, 2D relocation through a debris bed, etc.. The two-dimensional relocation of molten material through a porous debris bed, implemented for the simulation of late degradation phases, has opened a new way to the elaboration of the relocation model for the flow of liquid mixture along the rods. It is based on a volume averaging method, where wall friction and capillary effects are taken into account by introducing effective coefficients to characterize the solid matrix (rods, grids, debris, etc.). A local description of the liquid flow is necessary to derive the effective coefficients. Heat transfers are modelled in a similar way. The derivation of the conservation equations for the liquid mixture falling flow (momentum) in two directions (axial and radial-horizontal) and for the heat exchanges (energy) are the main points of this new model for simulating melt progression. In this presentation, the full model for the relocation and solidification of liquid materials through a rod bundle or a debris bed is described. It is implemented in the ICARE/CATHARE code, developed by IPSN in Cadarache. The main improvements and advantages of the new model are: A single formulation for liquid mixture relocation, in 2D, either through a rod bundle or a porous debris bed, Extensions to complex structures (grids, by-pass, etc..), The modeling of relocation of a liquid mixture over plane surfaces. (author)

Experimental Melting Study of Basalt-Peridotite Hybrid Source: Melting model of Hawaiian plume

Science.gov (United States)

Takahashi, E.; Gao, S.

2015-12-01

Eclogite component entrained in ascending plume is considered to be essentially important in producing flood basalts (e.g., Columbia River basalt, Takahashi et al., 1998 EPSL), alkalic OIBs (e.g., Kogiso et al.,2003), ferro-picrites (Tuff et al.,2005) and Hawaiian shield lavas (e.g., Hauri, 1996; Takahashi & Nakajima, 2002, Sobolev et al.,2005). Size of the entrained eclogite, which controls the reaction rates with ambient peridotite, however, is very difficult to constrain using geophysical observation. Among Hawaiian shield volcanoes, Koolau is the most enriched end-member in eclogite component (Frey et al, 1994). Reconstruction of Koolau volcano based on submarine study on Nuuanu landslide (AGU Monograph vol.128, 2002, Takahashi Garcia Lipman eds.) revealed that silica-rich tholeiite appeared only at the last stage (Makapuu stage) of Koolau volcano. Chemical compositions of lavas as well as isotopes change abruptly and coherently across a horizon (Shinozaki et al. and Tanaka et al. ibid.). Based on these observation, Takahashi & Nakajima (2002 ibid) proposed that the Makapuu stage lava in Koolau volcano was supplied from a single large eclogite block. In order to study melting process in Hawaiian plume, high-pressure melting experiments were carried out under dry and hydrous conditions with layered eclogite/peridotite starting materials. Detail of our experiments will be given by Gao et al (2015 AGU). Combined previous field observation with new set of experiments, we propose that variation in SiO2 among Hawaiian tholeiites represent varying degree of wall-rock interaction between eclogite and ambient peridotite. Makapuu stage lavas in Koolau volcano represents eclogite partial melts formed at ~3 GPa with various amount of xenocrystic olivines derived from Pacific plate. In other words, we propose that "primary magma" in the melting column of Hawaiian plume ranges from basaltic andesite to ferro-picrite depending on the lithology of the source. Solidus of

The effects of heat generation and wall interaction on freezing and melting in a finite slab

International Nuclear Information System (INIS)

Cheung, F.B.; Chawla, T.C.; Pedersen, D.R.

1984-01-01

The processes of freezing and melting occurring in a heat-generating slab bounded by two semi-infinite cold walls is studied numerically. The method of collocation is employed to solve the various sets of governing equations describing the unsteady behavior of the system during different periods of time. Depending on the rate of internal heat generation and the thermal properties of the wall and the slab, several changes may take place in the system. These changes, as indicated by the transient locations of the solid-liquid interface, include transitions from freezing directly to melting, from freezing to cooling with phase change, from cooling to heating without phase change, and from heating to melting. Numerical predictions of the occurrence of these transitions, the rates of freezing and melting, and the duration of the transients are obtained as functions of several controlling dimensionless parameters of the system. Comparison is made with the case of a heat-generating sphere to further explore the effect of system geometry. (author)

Liquid-liquid phase transition and glass transition in a monoatomic model system.

Science.gov (United States)

Xu, Limei; Buldyrev, Sergey V; Giovambattista, Nicolas; Stanley, H Eugene

2010-01-01

We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

Liquid-Liquid Phase Transition and Glass Transition in a Monoatomic Model System

Directory of Open Access Journals (Sweden)

Nicolas Giovambattista

2010-12-01

Full Text Available We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

The transition probabilities of the reciprocity model

NARCIS (Netherlands)

Snijders, T.A.B.

1999-01-01

The reciprocity model is a continuous-time Markov chain model used for modeling longitudinal network data. A new explicit expression is derived for its transition probability matrix. This expression can be checked relatively easily. Some properties of the transition probabilities are given, as well

Fuel Rod Melt Progression Simulation Using Low-Temperature Melting Metal Alloy

International Nuclear Information System (INIS)

Seung Dong Lee; Suh, Kune Y.; GoonCherl Park; Un Chul Lee

2002-01-01

The TMI-2 accident and various severe fuel damage experiments have shown that core damage is likely to proceed through various states before the core slumps into the lower head. Numerous experiments were conducted to address when and how the core can lose its original geometry, what geometries are formed, and in what processes the core materials are transported to the lower plenum of the reactor pressure vessel. Core degradation progresses along the line of clad ballooning, clad oxidation, material interaction, metallic blockage, molten pool formation, melt progression, and relocation to the lower head. Relocation into the lower plenum may occur from the lateral periphery or from the bottom of the core depending upon the thermal and physical states of the pool. Determining the quantities and rate of molten material transfer to the lower head is important since significant amounts of molten material relocated to the lower head can threaten the vessel integrity by steam explosion and thermal and mechanical attack of the melt. In this paper the focus is placed on the melt flow regime on a cylindrical fuel rod utilizing the LAMDA (Lumped Analysis of Melting in Degrading Assemblies) facility at the Seoul National University. The downward relocation of the molten material is a combination of the external film flow and the internal pipe flow. The heater rods are 0.8 m long and are coated by a low-temperature melting metal alloy. The electrical internal heating method is employed during the test. External heating is adopted to simulate the exothermic Zircaloy-steam reaction. Tests are conducted in several quasi-steady-state conditions. Given the variable boundary conditions including the heat flux and the water level, observation is made for the melting location, progression, and the mass of molten material. Finally, the core melt progression model is developed from the visual inspection and quantitative analysis of the experimental data. As the core material relocates

Stress relaxation of bi-disperse polystyrene melts

DEFF Research Database (Denmark)

Hengeller, Ludovica; Huang, Qian; Dorokhin, Andriy

2016-01-01

We present start-up of uniaxial extension followed by stress relaxation experiments of a bi-disperse 50 % by weight blend of 95k and 545k molecular weight polystyrene. We also show, for comparison, stress relaxation measurements of the polystyrene melts with molecular weight 95k and 545k, which...... are the components of the bi-disperse melt. The measurements show three separated relaxation regimes: a fast regime, a transition regime, and a slow regime. In the fast regime, the orientation of the long chains is frozen and the stress relaxation is due to stretch relaxation of the short chains primarily....... Conversely in the slow regime, the long chains have retracted and undergo relaxation of orientation in fully relaxed short chains....

Continuum model of tensile fracture of metal melts and its application to a problem of high-current electron irradiation of metals

International Nuclear Information System (INIS)

Mayer, Alexander E.; Mayer, Polina N.

2015-01-01

A continuum model of the metal melt fracture is formulated on the basis of the continuum mechanics and theory of metastable liquid. A character of temperature and strain rate dependences of the tensile strength that is predicted by the continuum model is verified, and parameters of the model are fitted with the use of the results of the molecular dynamics simulations for ultra-high strain rates (≥1–10/ns). A comparison with experimental data from literature is also presented for Al and Ni melts. Using the continuum model, the dynamic tensile strength of initially uniform melts of Al, Cu, Ni, Fe, Ti, and Pb within a wide range of strain rates (from 1–10/ms to 100/ns) and temperatures (from melting temperature up to 70–80% of critical temperature) is calculated. The model is applied to numerical investigation of a problem of the high-current electron irradiation of Al, Cu, and Fe targets

The 1988-2003 Greenland ice sheet melt extent using passive microwave satellite data and a regional climate model

Energy Technology Data Exchange (ETDEWEB)

Fettweis, Xavier; Ypersele, Jean-Pascal van [Universite Catholique de Louvain, Institut d' Astronomie et de Geophysique de G. Lemaitre, Louvain-La-Neuve (Belgium); Gallee, Hubert [CNRS, Laboratoire de Glaciologie et Geophysique de l' Environnement, Grenoble (France); Lefebre, Filip [Vito-IMS (Flemish Institute for Technological Research-Integral Environmental Studies), Mol (Belgium)

2006-10-15

Measurements from ETH-Camp and JAR1 AWS (West Greenland) as well as coupled atmosphere-snow regional climate simulations have highlighted flaws in the cross-polarized gradient ratio (XPGR) technique used to identify melt from passive microwave satellite data. It was found that dense clouds (causing notably rainfall) on the ice sheet severely perturb the XPGR melt signal. Therefore, the original XPGR melt detection algorithm has been adapted to better incorporate atmospheric variability over the ice sheet and an updated melt trend for the 1988-2003 period has been calculated. Compared to the original algorithm, the melt zone area increase is eight times higher (from 0.2 to 1.7% year{sup -1}). The increase is higher with the improved XPGR technique because rainfall also increased during this period. It is correlated to higher atmospheric temperatures. Finally, the model shows that the total ice sheet runoff is directly proportional to the melt extent surface detected by satellites. These results are important for the understanding of the effect of Greenland melting on the stability of the thermohaline circulation. (orig.)

The simplest classical models of topological transitions

International Nuclear Information System (INIS)

Konstantinov, M.Yu.

1983-01-01

It is shown that simplest classical models of topologigal transitions possess scalar singularity of curvature with a point carrier being a source of space-time incompleteness. It is also shown that the condition of energy dominance is broken near the topological transition, asymptotic behaviour of the curvature tensor (growth of curvature at approximation to the topological transition) and energy-momentum tensor of (breaking the condition of energy dominance) being a common property of the considered models and being completely determined by the type of topological transition

Helix-coil transition of a four-way DNA junction observed by multiple fluorescence parameters.

Science.gov (United States)

Vámosi, György; Clegg, Robert M

2008-10-16

The thermal denaturation of immobile four-way DNA ("Holliday-") junctions with 17 base pair arms was studied via fluorescence spectroscopic measurements. Two arms of the molecule were labeled at the 5'-end with fluorescein and tetramethylrhodamine, respectively. Melting was monitored by the fluorescence intensity of the dyes, the fluorescence anisotropy of tetramethylrhodamine, and Forster resonance energy transfer (FRET) between fluorescein and rhodamine. To fit the thermal denaturation curves of the four-way junctions, two basic thermodynamic models were tested: (1) all-or-none transitions assuming a molecularity of one, two, or four and (2) a statistical "zipper" model. The all-or-none models correspond to reaction mechanisms assuming that the cooperative melting unit (that is, the structure changing from complete helix to complete coil) consists of (1) one arm, (2) two neighboring arms (which have one continuous strand common to the two arms), or (3) all four arms. In each case, the melting of the cooperative unit takes place in a single step. The tetramolecular reaction model (four-arm melting) yielded unrealistically low van't Hoff enthalpy and entropy values, whereas the monomolecular model (one-arm melting) resulted in a poor fit to the experimental data. The all-or-none bimolecular (two neighboring arm model) fit gave intermediate standard enthalpy change (Delta H) values between those expected for the melting of a duplex with a total length between the helix lengths of one and two arms (17 and 34 base pairs). Simulations according to the zipper model fit the experimental curves best when the length of the simulated duplex was assumed to be 34 base pairs, the length of a single strand. This suggests that the most important parameter determining the melting behavior of the molecule is the end-to-end distance of the strands (34 bases) rather than the length of the individual arms (17 base pairs) and that the equilibrium concentration of partially denatured

Dealing with selection bias in educational transition models

DEFF Research Database (Denmark)

Holm, Anders; Jæger, Mads Meier

2011-01-01

This paper proposes the bivariate probit selection model (BPSM) as an alternative to the traditional Mare model for analyzing educational transitions. The BPSM accounts for selection on unobserved variables by allowing for unobserved variables which affect the probability of making educational tr...... account for selection on unobserved variables and high-quality data are both required in order to estimate credible educational transition models.......This paper proposes the bivariate probit selection model (BPSM) as an alternative to the traditional Mare model for analyzing educational transitions. The BPSM accounts for selection on unobserved variables by allowing for unobserved variables which affect the probability of making educational...... transitions to be correlated across transitions. We use simulated and real data to illustrate how the BPSM improves on the traditional Mare model in terms of correcting for selection bias and providing credible estimates of the effect of family background on educational success. We conclude that models which...

A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

International Nuclear Information System (INIS)

Jahangir, Vafa; Riahifar, Reza; Sahba Yaghmaee, Maziar

2016-01-01

In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.

A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

Energy Technology Data Exchange (ETDEWEB)

Jahangir, Vafa, E-mail: vafa.jahangir@yahoo.com; Riahifar, Reza, E-mail: reza_rfr@yahoo.com; Sahba Yaghmaee, Maziar, E-mail: fkmsahba@uni-miskolc.hu

2016-03-31

In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.

Supercoil Formation During DNA Melting

Science.gov (United States)

Sayar, Mehmet; Avsaroglu, Baris; Kabakcioglu, Alkan

2009-03-01

Supercoil formation plays a key role in determining the structure-function relationship in DNA. Biological and technological processes, such as protein synthesis, polymerase chain reaction, and microarrays relys on separation of the two strands in DNA, which is coupled to the unwinding of the supercoiled structure. This problem has been studied theoretically via Peyrard-Bishop and Poland-Scheraga type models, which include a simple representation of the DNA structural properties. In recent years, computational models, which provide a more realtistic representaion of DNA molecule, have been used to study the melting behavior of short DNA chains. Here, we will present a new coarse-grained model of DNA which is capable of simulating sufficiently long DNA chains for studying the supercoil formation during melting, without sacrificing the local structural properties. Our coarse-grained model successfully reproduces the local geometry of the DNA molecule, such as the 3'-5' directionality, major-minor groove structure, and the helical pitch. We will present our initial results on the dynamics of supercoiling during DNA melting.

Property-Composition-Temperature Modeling of Waste Glass Melt Data Subject to a Randomization Restriction

International Nuclear Information System (INIS)

Piepel, Gregory F.; Heredia-Langner, Alejandro; Cooley, Scott K.

2008-01-01

Properties such as viscosity and electrical conductivity of glass melts are functions of melt temperature as well as glass composition. When measuring such a property for several glasses, the property is typically measured at several temperatures for one glass, then at several temperatures for the next glass, and so on. This data-collection process involves a restriction on randomization, which is referred to as split-plot experiment. The split-plot data structure must be accounted for in developing property-composition-temperature models and the corresponding uncertainty equations for model predictions. Instead of ordinary least squares (OLS) regression methods, generalized least squares (GLS) regression methods using restricted maximum likelihood (REML) estimation must be used. This article describes the methodology for developing property-composition-temperature models and corresponding prediction uncertainty equations using the GLS/REML regression approach. Viscosity data collected on 197 simulated nuclear waste glasses are used to illustrate the GLS/REML methods for developing a viscosity-composition-temperature model and corresponding equations for model prediction uncertainties. The correct results using GLS/REML regression are compared to the incorrect results obtained using OLS regression

Dynamics of upper mantle rocks decompression melting above hot spots under continental plates

Science.gov (United States)

Perepechko, Yury; Sorokin, Konstantin; Sharapov, Victor

2014-05-01

Numeric 2D simulation of the decompression melting above the hot spots (HS) was accomplished under the following conditions: initial temperature within crust mantle section was postulated; thickness of the metasomatized lithospheric mantle is determined by the mantle rheology and position of upper asthenosphere boundary; upper and lower boundaries were postulated to be not permeable and the condition for adhesion and the distribution of temperature (1400-2050°C); lateral boundaries imitated infinity of layer. Sizes and distribution of lateral points, their symmetry, and maximum temperature varied between the thermodynamic condition for existences of perovskite - majorite transition and its excess above transition temperature. Problem was solved numerically a cell-vertex finite volume method for thermo hydrodynamic problems. For increasing convergence of iterative process the method of lower relaxation with different value of relaxation parameter for each equation was used. The method of through calculation was used for the increase in the computing rate for the two-layered upper mantle - lithosphere system. Calculated region was selected as 700 x (2100-4900) km. The time step for the study of the asthenosphere dynamics composed 0.15-0.65 Ma. The following factors controlling the sizes and melting degree of the convective upper mantle, are shown: a) the initial temperature distribution along the section of upper mantleb) sizes and the symmetry of HS, c) temperature excess within the HS above the temperature on the upper and lower mantle border TB=1500-2000oC with 5-15% deviation but not exceed 2350oC. It is found, that appearance of decompression melting with HS presence initiate primitive mantle melting at TB > of 1600oC. Initial upper mantle heating influence on asthenolens dimensions with a constant HS size is controlled mainly by decompression melting degree. Thus, with lateral sizes of HS = 400 km the decompression melting appears at TB > 1600oC and HS

Viscosity and volume properties of the Al-Cu melts

Directory of Open Access Journals (Sweden)

Kurochkin A.

2011-05-01

Full Text Available Temperature dependences of the kinematic viscosity v and the density ρ of Al-Cu melts were investigated in the same regime taking into account that viscometric experiments with the melts enriched with cupper have not been repeated since 1960th and densimetric measurements did not perform before at all. The first measurements were fulfilled using the method of dumping oscillation of a crucible filled in by a melt investigated. Its precision was as high as 1.5%. Density was measured using the gamma-absorption method with the accuracy of 0.2 to 0.3%. Crucibles of BeO were used in both the cases. In the course of the measurements a distinct branching of the heating and cooling curves were fixed below some temperature characteristic of each composition for most of the investigated samples. The branching temperature systematically changes with growth of cupper content. The authors believe that the effect is caused by the irreversible transition of the melts from microheterogeneous state inherited from the initial rough materials into a true solution state.

Fluid–fluid–solid triple point on melting curves at high temperatures

International Nuclear Information System (INIS)

Norman, G E; Saitov, I M

2016-01-01

An analysis is presented of experimental data where fluid-fluid phase transitions are observed for different substances at high temperatures with triple points on melting curves. Viscosity drops point to the structural character of the transition, whereas conductivity jumps remind of both semiconductor-to-metal and plasma nature. The slope of the phase equilibrium dependencies of pressure on temperature and the consequent change of the specific volume, which follows from the Clapeyron-Clausius equation, are discussed. P(V, T) surfaces are presented and discussed for the phase transitions considered in the vicinity of the triple points. The cases of abnormal P(T) dependencies on curves of phase equilibrium are in the focus of discussion. In particular, a P(V, T) surface is presented when both fluid-fluid and melting P(T) curves are abnormal. Particular attention is paid to warm dense hydrogen and deuterium, where remarkable contradictions exist between data of different authors. The possible connection of the P(V, T) surface peculiarities with the experimental data uncertainties is outlined. (paper)

Phase transition control, melt growth of (Gd,RE)F{sub 3} single crystal and their luminescent properties

Energy Technology Data Exchange (ETDEWEB)

Yoshikawa, Akira, E-mail: yosikawa@tagen.tohoku.ac.j [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); New Industry Creation Hatchery Center (NICHe), Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Jouini, Anis [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); BerlinSolar GmbH, Magnusstrasse 11, D-12489 Berlin (Germany); Kamada, Kei [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Boulon, Georges [Physical Chemistry of Luminescent Materials, Claude Bernard/Lyon 1 University, UMR 5620 CNRS, Villeurbanne (France); Nikl, Martin [Institute of Physics AS CR, Cukrovarnicka 10, Prague 16253 (Czech Republic); Saito, Fumio [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

2009-12-15

Rare-earth sesquifluorides with no absorption in visible spectral region, such as LaF{sub 3}, GdF{sub 3}, LuF{sub 3}, YF{sub 3}, ScF{sub 3}, are the topic of intense study as a host for luminescence materials. However, except Nd:LaF{sub 3}, they are not studied as a host for laser materials. The main obstacle troubling further study of GdF{sub 3}, LuF{sub 3}, YF{sub 3}, ScF{sub 3} single crystal is the fact that there is first-order phase transition (LaF{sub 3} type{leftrightarrow}{beta}-YF{sub 3} type for GdF{sub 3}, {alpha}-YF{sub 3} type{leftrightarrow}{beta}-YF{sub 3} type for the rest) between the room and melting temperature.To prevent the phase transition, first of all, we have tried to make solid solution between GdF{sub 3} and YF{sub 3} in such a way that the average cation radii can be shifted to the size that does not have phase transition. Ce{sup 3+} perturbed luminescence was observed in the Ce- and Sr-codoped GdF{sub 3}-YF{sub 3} system. Similar solid solution concept was applied to the combination between GdF{sub 3} and YbF{sub 3}. The emission spectrum of Yb{sup 3+} that exhibits broad bands around 1 {mu}m was observed. Room temperature up-conversion luminescence spectra of Pr{sup 3+}-doped Gd{sub 1-x}Yb{sub x}F{sub 3} were studied and visible emission from Pr{sup 3+} was obtained under infrared laser pumping in the Yb{sup 3+} broad absorption band at 935.5 nm.

Incorporation of a physically based melt pond scheme into the sea ice component of a climate model

OpenAIRE

Flocco, Daniela; Feltham, Danny; Turner, Adrian K.

2010-01-01

The extent and thickness of the Arctic sea ice cover has decreased dramatically in the past few decades with minima in sea ice extent in September 2005 and 2007. These minima have not been predicted in the IPCC AR4 report, suggesting that the sea ice component of climate models should more realistically represent the processes controlling the sea ice mass balance. One of the processes poorly represented in sea ice models is the formation and evolution of melt ponds. Melt ponds accumulate on t...

Phase Transitions in Algebraic Cluster Models

International Nuclear Information System (INIS)

Yepez-Martinez, H.; Cseh, J.; Hess, P.O.

2006-01-01

Complete text of publication follows. Phase transitions in nuclear systems are of utmost interest. An interesting class of phase transitions can be seen in algebraic models of nuclear structure. They are called shapephase transitions due to the following reason. These models have analytically solvable limiting cases, called dynamical symmetries, which are characterized by a chain of nested subgroups. They correspond to well-defined geometrical shape and behaviour, e.g. to rotation of an ellipsoid, or spherical vibration. The general case of the model, which includes interactions described by more than one groupchain, breaks the symmetry, and changing the relative strengths of these interactions, one can go from one shape to the other. In doing so a phase-transition can be seen. A phase transition is defined as a discontinuity of some quantity as a function of the control parameter, which gives the relative strength of the interactions of different symmetries. Real phase transitions can take place only in infinite systems, like in the classical limits of these algebraic models, when the particle number N is very large: N → ∞. For finite N the discontinuities are smoothed out, nevertheless, some indications of the phase-transitions can still be there. A controlled way of breaking the dynamical symmetries may reveal another very interesting phenomenon, i.e. the appearance of a quasidynamical (or effective) symmetry. This rather general symmetry-concept of quantum mechanics corresponds to a situation, in which the symmetry-breaking interactions are so strong that the energy-eigenfunctions are not symmetric, i.e. are not basis states of an irreducible representation of the symmetry group, rather they are linear combinations of these basis states. However, they are very special linear combinations in the sense that their coefficients are (approximately) identical for states with different spin values. When this is the case, then the underlying intrinsic state is the

A porous flow approach to model thermal non-equilibrium applicable to melt migration

Science.gov (United States)

Schmeling, Harro; Marquart, Gabriele; Grebe, Michael

2018-01-01

where melt focuses into melt channels near the transition to melt ascent by dykes. Our method is based on solving the convolution integration for the heat exchange over the full flow history, which is numerically expensive. We tested to replace the heat exchange term by an instantaneous, approximate term. We found considerable errors on the short timescale, but a good agreement on the long timescale if appropriate parameters for the approximate terms are used. We derived these parameters which may be implemented in fully dynamical two-phase flow formulations of melt migration in the Earth.

MODELING THE TRANSITION CURVE ON A LIMITED TERAIN

Directory of Open Access Journals (Sweden)

V. D. Borisenko

2017-04-01

Full Text Available Purpose. Further development of the method of geometric modelling of transition curves, which are placed between rectilinear and circular sections of railway tracks and are created in localities, the relief of which causes certain restrictions on the size of the transition curves of the railway track. Methodology. The equation of the transition curve is taken in parametric form, in which the length of the arc of the modelled curve is used as a parameter. As initial data in the modelling of the transition curve, the coordinates of its initial point and the angle of inclination in it are tangent, the radius of the circumference of the circular section and the parameter that is used as a constraint when placing a section of the railway track. The transition curve is modelled under the condition that the distribution of its curvature from the length of the arc - the natural parameter - is described by a cubic dependence. This dependence contains four unknown coefficients; the unknown is also the length of the arc. The coefficients of the cubic dependence and the length of the arc of the transition curve, the coordinates of its end point, the angle of inclination in it of the tangent are determined during the simulation of the transition curve. The application of boundary conditions and methods of differential geometry with respect to the distribution of the slope angle of the tangent to the simulated curve from the initial to the end points of the transition curve and the calculation of the coordinates of the end point of the curve allows us to reduce the problem of modelling the transition curve to determine the arc length of this curve. Directly the length of the transition curve is in the process of minimizing the deviation of the circumference of the circular path from its current value obtained when searching for the arc length. Findings. As a result of the computational experiment, the possibility of modelling a transition curve between a

Isoviscosity lines and the liquid-glass transition in simple liquids.

Science.gov (United States)

Fomin, Yu D; Brazhkin, V V; Ryzhov, V N

2012-07-01

This article presents the study of the generic behavior of viscosity of liquids based on some simple theoretical models, the soft-spheres and Lennard-Jones systems. The use of these simple models allows us to investigate in detail the viscosity behavior in a wide range of temperatures and pressures including the high-temperature-high-pressure limits. Based on the simulation results, we discuss the shape of isoviscosity lines and analyze the glass transition at high temperatures and high pressures. Despite the fact that the viscosity drastically increases in the limit of high temperatures and high pressures along the melting line, the relaxation time rapidly decreases in this region, and the system becomes further from the glass transition.

Computer simulations of supercooled polymer melts in the bulk and in confined geometry

International Nuclear Information System (INIS)

Baschnagel, J; Varnik, F

2005-01-01

We survey results of computer simulations for the structure and dynamics of supercooled polymer melts and films. Our survey is mainly concerned with features of a coarse grained polymer model-a bead-spring model-in the temperature regime above the critical glass temperature T c of the ideal mode-coupling theory (MCT). We divide our discussion into two parts: a part devoted to bulk properties and a part dealing with thin films. The discussion of the bulk properties focuses on two aspects: a comparison of the simulation results with MCT and an analysis of dynamic heterogeneities. We explain in detail how the analyses are performed and what results may be obtained, and we critically assess their strengths and weaknesses. In discussing the application of MCT we also present first results of a quantitative comparison which does not rely on fits, but exploits static input from the simulation to predict the relaxation dynamics. The second part of this review is devoted to extensions of the simulations from the bulk to thin films. We explore in detail the influence of the boundary condition, imposed by smooth or rough walls, on the structure and dynamics of the polymer melt. Geometric confinement is found to shift the glass transition temperature T g (or T c in our case) relative to the bulk. We compare our and other simulation results for the T g shift with experimental data, briefly survey some theoretical ideas for explaining these shifts and discuss related simulation work on the glass transition of confined liquids. Finally, we also present some technical details of how to perform fits to MCT and give a brief introduction to another approach to the glass transition based on the potential energy landscape of a liquid. (topical review)

Emerging melt quality control solution technologies for aluminium melt

Directory of Open Access Journals (Sweden)

Arturo Pascual, Jr

2009-11-01

Full Text Available The newly developed “MTS 1500” Melt Treatment System is performing the specifi cally required melt treatment operations like degassing, cleaning, modification and/or grain refinement by an automated process in one step and at the same location. This linked process is saving time, energy and metal losses allowing - by automated dosage of the melt treatment agents - the production of a consistent melt quality batch after batch. By linking the MTS Metal Treatment System with sensors operating on-line in the melt, i.e., with a hydrogen sensor “Alspek H”, a fully automated control of parts of the process chain like degassing is possible. This technology does guarantee a pre-specifi ed and documented melt quality in each melt treatment batch. Furthermore, to ensure that castings are consistent and predictable there is a growing realization that critical parameters such as metal cleanliness must be measured prior to casting. There exists accepted methods for measuring the cleanliness of an aluminum melt but these can be both slow and costly. A simple, rapid and meaningful method of measuring and bench marking the cleanliness of an aluminum melt has been developed to offer the foundry a practical method of measuring melt cleanliness. This paper shows the structure and performance of the integrated MTS melt treatment process and documents achieved melt quality standards after degassing, cleaning, modifi cation and grain refi nement operations under real foundry conditions. It also provides an insight on a melt cleanliness measuring device “Alspek MQ” to provide foundry men better tools in meeting the increasing quality and tighter specifi cation demand from the industry.

Fragmentation of low-melting metals by collapsing steam bubbles

International Nuclear Information System (INIS)

Benz, R.

1979-08-01

When a hot melt meets a vaporable liquid of lower temperature, explosive vaporisation of the cooler liquid may be the result. This is called a steam explosion if a substantial amount of thermal energy is converted into mechanical energy. One important step in understanding about steam explosions is to explain the surface increase of the hot melt. There are several competing fragmentation hypotheses, but so far there has been no model to describe fragmentation criteria as well as the time curve of surface increase on the basis of physical processes. An overall model is now given for one of the possible fragmentation mechanisms, i.e. the division of the melt by collapsing steam bubbles. The model estimates the surface increase of the melt on the basis of heavy supercooled boiling, the heat transfer connected with it, the transfer of mechanical energy during steam bubble collapse, and the solidification of the melt. The results of the calculations have shown that basic experimental observations, e.g. time and extent of fragmentation, are well presented in the model with regard to their order of magnitude. The model presents a qualitatively correct description of the effects of important influencing factors, e.g. supercooling of the coolant or initial temperature of the melt. (orig.) [de

Convergence of Transition Probability Matrix in CLVMarkov Models

Science.gov (United States)

Permana, D.; Pasaribu, U. S.; Indratno, S. W.; Suprayogi, S.

2018-04-01

A transition probability matrix is an arrangement of transition probability from one states to another in a Markov chain model (MCM). One of interesting study on the MCM is its behavior for a long time in the future. The behavior is derived from one property of transition probabilty matrix for n steps. This term is called the convergence of the n-step transition matrix for n move to infinity. Mathematically, the convergence of the transition probability matrix is finding the limit of the transition matrix which is powered by n where n moves to infinity. The convergence form of the transition probability matrix is very interesting as it will bring the matrix to its stationary form. This form is useful for predicting the probability of transitions between states in the future. The method usually used to find the convergence of transition probability matrix is through the process of limiting the distribution. In this paper, the convergence of the transition probability matrix is searched using a simple concept of linear algebra that is by diagonalizing the matrix.This method has a higher level of complexity because it has to perform the process of diagonalization in its matrix. But this way has the advantage of obtaining a common form of power n of the transition probability matrix. This form is useful to see transition matrix before stationary. For example cases are taken from CLV model using MCM called Model of CLV-Markov. There are several models taken by its transition probability matrix to find its convergence form. The result is that the convergence of the matrix of transition probability through diagonalization has similarity with convergence with commonly used distribution of probability limiting method.

An empirical model for the melt viscosity of polymer blends

International Nuclear Information System (INIS)

Dobrescu, V.

1981-01-01

On the basis of experimental data for blends of polyethylene with different polymers an empirical equation is proposed to describe the dependence of melt viscosity of blends on component viscosities and composition. The model ensures the continuity of viscosity vs. composition curves throughout the whole composition range, the possibility of obtaining extremum values higher or lower than the viscosities of components, allows the calculation of flow curves of blends from the flow curves of components and their volume fractions. (orig.)

Basal melting driven by turbulent thermal convection

Science.gov (United States)

Rabbanipour Esfahani, Babak; Hirata, Silvia C.; Berti, Stefano; Calzavarini, Enrico

2018-05-01

Melting and, conversely, solidification processes in the presence of convection are key to many geophysical problems. An essential question related to these phenomena concerns the estimation of the (time-evolving) melting rate, which is tightly connected to the turbulent convective dynamics in the bulk of the melt fluid and the heat transfer at the liquid-solid interface. In this work, we consider a convective-melting model, constructed as a generalization of the Rayleigh-Bénard system, accounting for the basal melting of a solid. As the change of phase proceeds, a fluid layer grows at the heated bottom of the system and eventually reaches a turbulent convection state. By means of extensive lattice-Boltzmann numerical simulations employing an enthalpy formulation of the governing equations, we explore the model dynamics in two- and three-dimensional configurations. The focus of the analysis is on the scaling of global quantities like the heat flux and the kinetic energy with the Rayleigh number, as well as on the interface morphology and the effects of space dimensionality. Independently of dimensionality, we find that the convective-melting system behavior shares strong resemblances with that of the Rayleigh-Bénard one, and that the heat flux is only weakly enhanced with respect to that case. Such similarities are understood, at least to some extent, considering the resulting slow motion of the melting front (with respect to the turbulent fluid velocity fluctuations) and its generally little roughness (compared to the height of the fluid layer). Varying the Stefan number, accounting for the thermodynamical properties of the material, also seems to have only a mild effect, which implies the possibility of extrapolating results in numerically delicate low-Stefan setups from more convenient high-Stefan ones. Finally, we discuss the implications of our findings for the geophysically relevant problem of modeling Arctic ice melt ponds.

Improving the understanding of the melting behaviour of Mo, Ta, and W at extreme pressures

International Nuclear Information System (INIS)

Errandonea, Daniel

2005-01-01

We discuss the existing conflicts between experimentally measured and theoretically calculated melting curves of Mo, Ta, and W. By assuming that vacancy formation plays a fundamental role in the melting process, an explanation for the measured melting curves is provided. Furthermore, we show that the Lindemann law fits well all the measured melting curves of BCC transition metals if the Grueneisen parameter is written as a power series of the interatomic distance. For completeness, we examine possible reasons for current disagreements between shock-wave and DAC experiments. To solve them, we propose the existence of an extra high P-T phase for Mo, Ta, and W

Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures

Science.gov (United States)

Los, J. H.; Pellenq, R. J. M.

2010-02-01

We have determined the bulk melting temperature Tm of nickel according to a recent interatomic interaction model via Monte Carlo simulation by two methods: extrapolation from cluster melting temperatures based on the Pavlov model (a variant of the Gibbs-Thompson model) and by calculation of the liquid and solid Gibbs free energies via thermodynamic integration. The result of the latter, which is the most reliable method, gives Tm=2010±35K , to be compared to the experimental value of 1726 K. The cluster extrapolation method, however, gives a 325° higher value of Tm=2335K . This remarkable result is shown to be due to a barrier for melting, which is associated with a nonwetting behavior.

Modeling and simulation of Si crystal growth from melt

Energy Technology Data Exchange (ETDEWEB)

Liu, Lijun; Liu, Xin; Li, Zaoyang [National Engineering Research Center for Fluid Machinery and Compressors, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Miyazawa, Hiroaki; Nakano, Satoshi; Kakimoto, Koichi [Research Institute for Applied Mechanics, Kyushu University, Kasuga 816-8580 (Japan)

2009-07-01

A numerical simulator was developed with a global model of heat transfer for any crystal growth taking place at high temperature. Convective, conductive and radiative heat transfers in the furnace are solved together in a conjugated way by a finite volume method. A three-dimensional (3D) global model was especially developed for simulation of heat transfer in any crystal growth with 3D features. The model enables 3D global simulation be conducted with moderate requirement of computer resources. The application of this numerical simulator to a CZ growth and a directional solidification process for Si crystals, the two major production methods for crystalline Si for solar cells, was introduced. Some typical results were presented, showing the importance and effectiveness of numerical simulation in analyzing and improving these kinds of Si crystal growth processes from melt. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

The synergy of modeling and novel experiments for melt crystal growth research

Science.gov (United States)

Derby, Jeffrey J.

2018-05-01

Computational modeling and novel experiments, when performed together, can enable the identification of new, fundamental mechanisms important for the growth of bulk crystals from the melt. In this paper, we present a compelling example of this synergy via the discovery of previously unascertained physical mechanisms that govern the engulfment of silicon carbide particles during the growth of crystalline silicon.

Comparing two tetraalkylammonium ionic liquids. II. Phase transitions

Energy Technology Data Exchange (ETDEWEB)

Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.; Ribeiro, Mauro C. C., E-mail: mccribei@iq.usp.br [Laboratório de Espectroscopia Molecular, Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, CP 26077, CEP 05513-970 São Paulo, SP (Brazil); Ferreira, Fabio F.; Costa, Fanny N. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, SP (Brazil); Giles, Carlos [Depto. de Física da Matéria Condensada, Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, 13083-859 Campinas, SP (Brazil)

2016-06-14

Phase transitions of the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1114}][NTf{sub 2}], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1444}][NTf{sub 2}], were investigated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) measurements, and Raman spectroscopy. XRD and Raman spectra were obtained as a function of temperature at atmospheric pressure, and also under high pressure at room temperature using a diamond anvil cell (DAC). [N{sub 1444}][NTf{sub 2}] experiences glass transition at low temperature, whereas [N{sub 1114}][NTf{sub 2}] crystallizes or not depending on the cooling rate. Both the ionic liquids exhibit glass transition under high pressure. XRD and low-frequency Raman spectra provide a consistent physical picture of structural ordering-disordering accompanying the thermal events of crystallization, glass transition, cold crystallization, pre-melting, and melting. Raman spectra in the high-frequency range of some specific cation and anion normal modes reveal conformational changes of the molecular structures along phase transitions.

Glacier Melt Detection in Complex Terrain Using New AMSR-E Calibrated Enhanced Daily EASE-Grid 2.0 Brightness Temperature (CETB) Earth System Data Record

Science.gov (United States)

Ramage, J. M.; Brodzik, M. J.; Hardman, M.

2016-12-01

Passive microwave (PM) 18 GHz and 36 GHz horizontally- and vertically-polarized brightness temperatures (Tb) channels from the Advanced Microwave Scanning Radiometer for EOS (AMSR-E) have been important sources of information about snow melt status in glacial environments, particularly at high latitudes. PM data are sensitive to the changes in near-surface liquid water that accompany melt onset, melt intensification, and refreezing. Overpasses are frequent enough that in most areas multiple (2-8) observations per day are possible, yielding the potential for determining the dynamic state of the snow pack during transition seasons. AMSR-E Tb data have been used effectively to determine melt onset and melt intensification using daily Tb and diurnal amplitude variation (DAV) thresholds. Due to mixed pixels in historically coarse spatial resolution Tb data, melt analysis has been impractical in ice-marginal zones where pixels may be only fractionally snow/ice covered, and in areas where the glacier is near large bodies of water: even small regions of open water in a pixel severely impact the microwave signal. We use the new enhanced-resolution Calibrated Passive Microwave Daily EASE-Grid 2.0 Brightness Temperature (CETB) Earth System Data Record product's twice daily obserations to test and update existing snow melt algorithms by determining appropriate melt thresholds for both Tb and DAV for the CETB 18 and 36 GHz channels. We use the enhanced resolution data to evaluate melt characteristics along glacier margins and melt transition zones during the melt seasons in locations spanning a wide range of melt scenarios, including the Patagonian Andes, the Alaskan Coast Range, and the Russian High Arctic icecaps. We quantify how improvement of spatial resolution from the original 12.5 - 25 km-scale pixels to the enhanced resolution of 3.125 - 6.25 km improves the ability to evaluate melt timing across boundaries and transition zones in diverse glacial environments.

Material properties influence on steam explosion efficiency. Prototypic versus simulant melts, eutectic versus non-eutectic melts

International Nuclear Information System (INIS)

Leskovar, M.; Mavko, B.

2006-01-01

A steam explosion may occur during a severe nuclear reactor accident if the molten core comes into contact with the coolant water. A strong enough steam explosion in a nuclear power plant could jeopardize the containment integrity and so lead to a direct release of radioactive material to the environment. Details of processes taking place prior and during the steam explosion have been experimentally studied for a number of years with adjunct efforts in modelling these processes to address the scaling of these experiments. Steam explosion experiments have shown that there are important differences of behaviour between simulant and prototypical melts, and that also at prototypical melts the fuel coolant interactions depend on the composition of the corium. In experiments with prototypic materials no spontaneous steam explosions occurred (except with an eutectic composition), whereas with simulant materials the steam explosions were triggered spontaneously. The energy conversion ratio of steam explosions with prototypic melts is at least one order of magnitude lower than the energy conversion ratio of steam explosions with simulant melts. Although the different behaviour of prototypic and simulant melts has been known for a number of years, there is no reliable explanation for these differences. Consequently it is not possible to reliably estimate whether corium would behave so non-explosive also in reactor conditions, where the mass of poured melt is nearly three orders of magnitude larger than in experimental conditions. An even more fascinating material effect was observed recently at corium experiments with eutectic and non-eutectic compositions. It turned out that eutectic corium always exploded spontaneously, whereas non-eutectic corium never exploded spontaneously. In the paper, a possible explanation of both material effects (prototypic/simulant melts, eutectic/non-eutectic corium) on the steam explosion is provided. A model for the calculation of the

Thermal margin model for transition core of KSNP

International Nuclear Information System (INIS)

Nahm, Kee Yil; Lim, Jong Seon; Park, Sung Kew; Chun, Chong Kuk; Hwang, Sun Tack

2004-01-01

The PLUS7 fuel was developed with mixing vane grids for KSNP. For the transition core partly loaded with the PLUS7 fuels, the procedure to set up the optimum thermal margin model of the transition core was suggested by introducing AOPM concept into the screening method which determines the limiting assembly. According to the procedure, the optimum thermal margin model of the first transition core was set up by using a part of nuclear data for the first transition and the homogeneous core with PLUS7 fuels. The generic thermal margin model of PLUS7 fuel was generated with the AOPM of 138%. The overpower penalties on the first transition core were calculated to be 1.0 and 0.98 on the limiting assembly and the generic thermal margin model, respectively. It is not usual case to impose the overpower penalty on reload cores. It is considered that the lack of channel flow due to the difference of pressure drop between PLUS7 and STD fuels results in the decrease of DNBR. The AOPM of the first transition core is evaluated to be about 135% by using the optimum generic thermal margin model which involves the generic thermal margin model and the total overpower penalty. The STD fuel is not included among limiting assembly candidates in the second transition core, because they have much lower pin power than PLUS7 fuels. The reduced number of STD fuels near the limiting assembly candidates the flow from the limiting assembly to increase the thermal margin for the second transition core. It is expected that cycle specific overpower penalties increase the thermal margin for the transition core. Using the procedure to set up the optimum thermal margin model makes sure that the enhanced thermal margin of PLUS7 fuel can be sufficiently applied to not only the homogeneous core but also the transition core

Thermal behavior and densification mechanism during selective laser melting of copper matrix composites: Simulation and experiments

International Nuclear Information System (INIS)

Dai, Donghua; Gu, Dongdong

2014-01-01

Highlights: • Thermal behavior and densification activity during SLM of composites are simulated. • Temperature distributions and melt pool dimensions during SLM are disclosed. • Motion behaviors of gaseous bubbles in laser induced melt pool are elucidated. • Simulation results show good agreement with the obtained experimental results. - Abstract: Simulation of temperature distribution and densification process of selective laser melting (SLM) WC/Cu composite powder system has been performed, using a finite volume method (FVM). The transition from powder to solid, the surface tension induced by temperature gradient, and the movement of laser beam power with a Gaussian energy distribution are taken into account in the physical model. The effect of the applied linear energy density (LED) on the temperature distribution, melt pool dimensions, behaviors of gaseous bubbles and resultant densification activity has been investigated. It shows that the temperature distribution is asymmetric with respect to the laser beam scanning area. The center of the melt pool does not locate at the center of the laser beam but slightly shifts towards the side of the decreasing X-axis. The dimensions of the melt pool are in sizes of hundreds of micrometers and increase with the applied LED. For an optimized LED of 17.5 kJ/m, an enhanced efficiency of gas removal from the melt pool is realized, and the maximum relative density of laser processed powder reaches 96%. As the applied LED surpasses 20 kJ/m, Marangoni flow tends to retain the entrapped gas bubbles. The flow pattern has a tendency to deposit the gas bubbles at the melt pool bottom or to agglomerate gas bubbles by the rotating flow in the melt pool, resulting in a higher porosity in laser processed powder. The relative density and corresponding pore size and morphology are experimentally acquired, which are in a good agreement with the results predicted by simulation

SCDAP/RELAP5 Modeling of Movement of Melted Material Through Porous Debris in Lower Head

International Nuclear Information System (INIS)

Siefken, L. J.

1998-01-01

Designs are described for implementing models for calculating the movement of melted material through the interstices in a matrix of porous debris in the lower head of a reactor vessel. The COUPLE model in SCDAP/RELAP5 represents both the porous and nonporous debris that results from core material slumping into the lower head during a severe accident in a Light Water Reactor. Currently, the COUPLE model has no capability to model the movement of material that melts within a matrix of porous material. The COUPLE model also does not have the capability to model the movement of liquefied core plate material that slumps onto a porous debris bed in the lower head. In order to advance beyond the assumption the liquefied material always remains stationary, designs are developed for calculations of the movement of liquefied material through the interstices in a matrix of porous material. Correlations are identified for calculating the permeability of the porous debris and for calculating the rate of flow of liquefied material through the interstices in the debris bed. Correlations are also identified for calculating the relocation of solid debris that has a large amount of cavities due to the flowing away of melted material. Equations are defined for calculating the effect on the temperature distribution in the debris bed of heat transported by moving material and for changes in effective thermal conductivity and heat capacity due to the movement of material. The implementation of these models is expected to improve the calculation of the material distribution and temperature distribution of debris in the lower head for cases in which the debris is porous and liquefied material is present within the porous debris

MELTS_Excel: A Microsoft Excel-based MELTS interface for research and teaching of magma properties and evolution

Science.gov (United States)

Gualda, Guilherme A. R.; Ghiorso, Mark S.

2015-01-01

thermodynamic modeling software MELTS is a powerful tool for investigating crystallization and melting in natural magmatic systems. Rhyolite-MELTS is a recalibration of MELTS that better captures the evolution of silicic magmas in the upper crust. The current interface of rhyolite-MELTS, while flexible, can be somewhat cumbersome for the novice. We present a new interface that uses web services consumed by a VBA backend in Microsoft Excel©. The interface is contained within a macro-enabled workbook, where the user can insert the model input information and initiate computations that are executed on a central server at OFM Research. Results of simple calculations are shown immediately within the interface itself. It is also possible to combine a sequence of calculations into an evolutionary path; the user can input starting and ending temperatures and pressures, temperature and pressure steps, and the prevailing oxidation conditions. The program shows partial updates at every step of the computations; at the conclusion of the calculations, a series of data sheets and diagrams are created in a separate workbook, which can be saved independently of the interface. Additionally, the user can specify a grid of temperatures and pressures and calculate a phase diagram showing the conditions at which different phases are present. The interface can be used to apply the rhyolite-MELTS geobarometer. We demonstrate applications of the interface using an example early-erupted Bishop Tuff composition. The interface is simple to use and flexible, but it requires an internet connection. The interface is distributed for free from http://melts.ofm-research.org.

Multiscale radar mapping of surface melt over mountain glaciers in High Mountain Asia

Science.gov (United States)

Steiner, N.; McDonald, K. C.

2017-12-01

Glacier melt dominates input for many hydrologic systems in the Himalayan Hindukush region that feed rivers that are critical for downstream ecosystems and hydropower generation in this highly populated area. Deviation in seasonal surface melt timing and duration with a changing climate has the potential to affect up to a billion people on the Indian Subcontinent. Satellite-borne microwave remote sensing has unique capabilities that allow monitoring of numerous landscape processes associated with snowmelt and freeze/thaw state, without many of the limitations in optical-infrared sensors such as solar illumination or atmospheric conditions. The onset of regional freeze/thaw and surface melting transitions determine important surface hydrologic variables like river discharge. Theses regional events are abrupt therefore difficult to observe with low-frequency observation sensors. Recently launched synthetic aperture radar (SAR) onboard the Sentinel-1 A and B satellites from the European Space Agency (ESA) provide wide-swath and high spatial resolution (50-100 m) C-Band SAR observations with observations frequencies not previously available, on the order of 8 to 16 days. The Sentinel SARs provide unique opportunity to study freeze/thaw and mountain glacier melt dynamics at process level scales, spatial and temporal. The melt process of individual glaciers, being fully resolved by imaging radar, will inform on the radiometric scattering physics associated with surface hydrology during the transition from melted to thawed state and during refreeze. Backscatter observations, along with structural information about the surface will be compared with complimentary coarse spatial resolution C-Band radar scatterometers, Advanced Scatterometer (ASCAT Met Op A+B), to understand the sub-pixel contribution of surface melting and freeze/thaw signals. This information will inform on longer-scale records of backscatter from ASCAT, 2006-2017. We present a comparison of polarimetric C

Migrating Toward Fully 4-D Geodynamical Models of Asthenospheric Circulation and Melt Production at Mid-Ocean Ridges

Science.gov (United States)

van Dam, L.; Kincaid, C. R.; Pockalny, R. A.; Sylvia, R. T.; Hall, P. S.

2017-12-01

Lateral migration of mid-ocean ridge spreading centers is a well-documented phenomenon leading to asymmetric melt production and the surficial expressions thereof. This form of plate motion has been difficult to incorporate into both numerical and analogue geodynamical models, and consequently, current estimates of time-dependent flow, material transport, and melting in the mantle beneath ridges are lacking. To address this, we have designed and built an innovative research apparatus that allows for precise and repeatable simulations of mid-ocean ridge spreading and migration. Three pairs of counter-rotating belts with adjustable lateral orientations are scaled to simulate spreading at, and flow beneath, three 600km wide ridge segments with up to 300km transform offsets. This apparatus is attached to a drive system that allows us to test a full range of axis-parallel to axis-normal migration directions, and is suspended above a reservoir of viscous glucose syrup, a scaled analogue for the upper mantle, and neutrally buoyant tracers. We image plate-driven flow in the syrup with high-resolution digital cameras and use particle image velocimetry methods to obtain information about transport pathlines and flow-induced anisotropy. Suites of experiments are run with and without ridge migration to determine the overall significance of migration on spatial and temporal characteristics of shallow mantle flow. Our experiments cover an expansive parameter space by including various spreading rates, migration speeds and directions, degrees of spreading asymmetry, transform-offset lengths, and upper mantle viscosity conditions. Preliminary results highlight the importance of modeling migratory plate forces. Mantle material exhibits a significant degree of lateral transport, particularly between ridge segments and towards the melt triangle. Magma supply to the melting region is highly complex; parcels of material do not necessarily move along fixed streamlines, rather, they can

Numerical simulation of transitional flow on a wind turbine airfoil with RANS-based transition model

Science.gov (United States)

Zhang, Ye; Sun, Zhengzhong; van Zuijlen, Alexander; van Bussel, Gerard

2017-09-01

This paper presents a numerical investigation of transitional flow on the wind turbine airfoil DU91-W2-250 with chord-based Reynolds number Rec = 1.0 × 106. The Reynolds-averaged Navier-Stokes based transition model using laminar kinetic energy concept, namely the k - kL - ω model, is employed to resolve the boundary layer transition. Some ambiguities for this model are discussed and it is further implemented into OpenFOAM-2.1.1. The k - kL - ω model is first validated through the chosen wind turbine airfoil at the angle of attack (AoA) of 6.24° against wind tunnel measurement, where lift and drag coefficients, surface pressure distribution and transition location are compared. In order to reveal the transitional flow on the airfoil, the mean boundary layer profiles in three zones, namely the laminar, transitional and fully turbulent regimes, are investigated. Observation of flow at the transition location identifies the laminar separation bubble. The AoA effect on boundary layer transition over wind turbine airfoil is also studied. Increasing the AoA from -3° to 10°, the laminar separation bubble moves upstream and reduces in size, which is in close agreement with wind tunnel measurement.

A unified description of crystalline-to-amorphous transitions

Energy Technology Data Exchange (ETDEWEB)

Lam, N.Q.; Okamoto, P.R. [Argonne National Lab., IL (United States); Devanathan, R. [Argonne National Lab., IL (United States)]|[Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Meshii, M. [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering

1993-07-01

Amorphous metallic alloys can now be synthesized by a variety of solid-state processes demonstrating the need for a more general approach to crystalline-to-amorphous (c-a) transitions. By focusing on static atomic displacements as a measure of chemical and topological disorder, we show that a unified description of c-a transformations can be based on a generalization of the phenomenological melting criterion proposed by Lindemann. The generalized version assumes that melting of a defective crystal occurs whenever the sum of thermal and static mean-square displacements exceeds a critical value identical to that for melting of the defect-free crystal. This implies that chemical or topological disorder measured by static displacements is thermodynamically equivalent to heating, and therefore that the melting temperature of the defective crystal will decrease with increasing amount of disorder. This in turn implies the existence of a critical state of disorder where the melting temperature becomes equal to a glass-transition temperature below which the metastable crystal melts to a glass. The generalized Lindemann melting criterion leads naturally to an interpretation of c-a transformations as defect-induced, low-temperature melting of critically disordered crystals. Confirmation of this criterion is provided by molecular-dynamics simulations of heat-induced melting and of defect-induced amorphization of intermetallic compounds caused either by the production of Frenkel pairs or anti-site defects. The thermodynamic equivalence between static atomic disorder and heating is reflected in the identical softening effects which they have on elastic properties and also in the diffraction analysis of diffuse scattering from disordered crystals, where the effect of static displacements appears as an artificially-enlarged thermal Debye-Waller factor. Predictions of this new, unified approach to melting and amorphization are compared with available experimental information.

Optimization models in a transition economy

CERN Document Server

Sergienko, Ivan V; Koshlai, Ludmilla

2014-01-01

This book opens new avenues in understanding mathematical models within the context of a  transition economy. The exposition lays out the methods for combining different mathematical structures and tools to effectively build the next model that will accurately reflect real world economic processes. Mathematical modeling of weather phenomena allows us to forecast certain essential weather parameters without any possibility of changing them. By contrast, modeling of transition economies gives us the freedom to not only predict changes in important indexes of all types of economies, but also to influence them more effectively in the desired direction. Simply put: any economy, including a transitional one, can be controlled. This book is useful to anyone who wants to increase profits within their business, or improve the quality of their family life and the economic area they live in. It is beneficial for undergraduate and graduate students specializing in the fields of Economic Informatics, Economic Cybernetic...

Theoretical Melt Curves of Al, Cu, Ta and Pb

International Nuclear Information System (INIS)

Mehta, S.

2006-01-01

Melt curves of a number of metals are computed using simple models of the solid and liquid phases in conjunction with a minimal amount of experimental data. Ionic motion is modelled using a mean field approximation and a modified CRIS model in the solid and liquid phases respectively. By correcting the liquid Helmholtz free energy to reproduce experimental measurements of various melting quantities at atmospheric pressure, it is found that the melt curve remains in reasonable agreement with experiment and more advanced calculations to high pressure

Transition and Turbulence Modeling for Blunt-Body Wake Flows

Science.gov (United States)

Nance, Robert P.; Horvath, Thomas J.; Hassan, H. A.

1997-01-01

This study attempts t o improve the modeling and computational prediction of high- speed transitional wake flows. The recently developed kappa - zeta (Enstrophy) turbulence model is coupled with a newly developed transition prediction method and implemented in an implicit flow solver well-suited to hypersonic flows. In this model, transition onset is determined as part of the solution. Results obtained using the new model for a 70- deg blunted cone/sting geometry demonstrate better agreement with experimental heat- transfer measurements when compared to laminar calculations as well as solutions using the kappa - omega model. Results are also presented for the situation where transition onset is preselected. It is shown that, in this case, results are quite sensitive to location of the transition point.

Flux Decoupling and Chemical Diffusion in Redox Dynamics in Aluminosilicate Melts and Glasses (Invited)

Science.gov (United States)

Cooper, R. F.

2010-12-01

Measurements of redox dynamics in silicate melts and glasses suggest that, for many compositions and for many external environments, the reaction proceeds and is rate-limited by the diffusive flux of divalent-cation network modifiers. Application of ion-backscattering spectrometry either (i) on oxidized or reduced melts (subsequently quenched before analysis) or (ii) on similarly reacted glasses, both of basalt-composition polymerization, demonstrates that the network modifiers move relative to the (first-order-rigid) aluminosilicate network. Thus, the textures associated with such reactions are often surprising, and frequently include metastable or unstable phases and/or spatial compositional differences. This response is only possible if the motion of cations can be decoupled from that of anions. In many cases, decoupling is accomplished by the presence in the melt/glass of transition-metal cations, whose heterovalency creates distortions in the electronic band structure resulting in electronic defects: electron “holes” in the valence band or electrons in the conduction band. (The prevalence of holes or electrons being a function of bulk chemistry and oxygen activity.) These electronic species make the melt/glass a “defect semiconductor.” Because (a) the critical issue in reaction dynamics is the transport coefficient (the product of species mobility and species concentration) and (b) the electronic species are many orders of magnitude more mobile than are the ions, very low concentrations of transition-metal ions are required for flux decoupling. For example, 0.04 at% Fe keeps a magnesium aluminosilicate melt/glass a defect semiconductor down to 800°C [Cook & Cooper, 2000]. Depending on composition, high-temperature melts can see ion species having a high-enough transport coefficient to allow decoupling, e.g., alkali cations in a basaltic melt [e.g., Pommier et al., 2010]. In this presentation, these ideas will be illustrated by examining redox dynamics

The Melting Curve and Premelting of MgO

OpenAIRE

Cohen, R. E.; Weitz, J. S.

1996-01-01

The melting curve for MgO was obtained using molecular dynamics and a non-empirical, many-body potential. We also studied premelting effects by computing the dynamical structure factor in the crystal on approach to melting. The melting curve simulations were performed with periodic boundary conditions with cells up to 512 atoms using the ab-initio Variational Induced Breathing (VIB) model. The melting curve was obtained by computing $% \\Delta H_m$ and $\\Delta V_m$ and integrating the Clapeyro...

Freezing of a modulated liquid: The superionic-to-normal transition of strontium chloride

International Nuclear Information System (INIS)

Rovere, M.; Tosi, M.P.; Trieste Univ.

1985-05-01

The anionic component in SrCl 2 near melting is treated as a modulated liquid in the periodic potential of the sublattice of cations. With decreasing temperature from the melting point, we find a diffuse disorder-order phase transition. The calculated behaviours of the order parameter and of thermodynamic properties approximate those observed for SrCl 2 across its superionic transition. (author)

Attenuation in Melting Layer of Precipitation

NARCIS (Netherlands)

Klaassen, W.

1988-01-01

A model of the melting layer is employed on radar measurements to simulate the attenuation of radio waves at 12, 20 and 30GHz. The attenuation in the melting layer is simulated to be slightly larger than that of rain with the same path length and precipitation intensity. The result appears to depend

Modification of Pawlow's thermodynamical model for the melting of small single-component particles

Science.gov (United States)

Barybin, Anatoly; Shapovalov, Victor

2011-02-01

A new approach to the melting of small particles is proposed to modify the known Pawlow's model by taking into account the transfer of material from solid spherical particles to liquid ones through a gas phase. Thermodynamical analysis gives rise to a differential equation for the melting point Tm involving such size-dependent and temperature-dependent parameters of a material as the surface tensions σs(l ), molar heat of fusion ΔHm and molar volumes vs(l ). Solution of this equation has shown that all the limiting cases for size-independent situations coincide with results known in the literature and our analysis of size-dependent situations gives results close to the experimental data previously obtained by other authors for some metallic particles.

Conductivity and thermodynamic characteristic of superionic transition in strontium chloride

International Nuclear Information System (INIS)

Voronin, B.M.; Prisyazhnyj, V.D.

1989-01-01

Electric conductivity of strontium polycrystalline chloride in the wide temperature range including melting point is measured. Reciprocally caused anomalous behaviour of kinetic and thermodynamic properties, which relates to peculiarities of salt transition to a superionic state is established in the region of high temperatures. Thermodynamic functions corresponding to crystal anion sublattice disordering are determined and characterized. Comparative analysis of data on strontium chloride and other structural-like salts testifies about step-by-step washing-out character of superionic transition, and the depth of transition (the degree of disordering) reached at melting points relates regularly to relative sizes of cations and anions in the fluorite lattice

The modeling of core melting and in-vessel corium relocation in the APRIL code

Energy Technology Data Exchange (ETDEWEB)

Kim. S.W.; Podowski, M.Z.; Lahey, R.T. [Rensselaer Polytechnic Institute, Troy, NY (United States)] [and others

1995-09-01

This paper is concerned with the modeling of severe accident phenomena in boiling water reactors (BWR). New models of core melting and in-vessel corium debris relocation are presented, developed for implementation in the APRIL computer code. The results of model testing and validations are given, including comparisons against available experimental data and parametric/sensitivity studies. Also, the application of these models, as parts of the APRIL code, is presented to simulate accident progression in a typical BWR reactor.

High-pressure anatectic paragneisses from the Namche Barwa, Eastern Himalayan Syntaxis: Textural evidence for partial melting, phase equilibria modeling and tectonic implications

Science.gov (United States)

Guilmette, C.; Indares, A.; Hébert, R.

2011-05-01

Rare kyanite-bearing anatectic paragneisses are found as boudins within sillimanite-bearing paragneisses of the core of the Namche Barwa Antiform, Tibet. In the present study, we document an occurrence from the NW side of the Yarlung Zangbo River. These rocks mainly consist of the assemblage garnet + K-feldspar + kyanite ± biotite + quartz + rutile ± plagioclase with kyanite locally pseudomorphed by sillimanite. The documented textures are consistent with the rocks having undergone biotite-dehydration melting in the kyanite stability field, under high-P granulite facies conditions, and having experienced melt extraction. However textures related to melt crystallization are ubiquitous both in polymineralic inclusions in garnet and in the matrix, suggesting that a melt fraction had remained in these rocks. Phase equilibria modelling was undertaken in the NCKFMASTHO system with THERMOCALC. P-T pseudosections built with the bulk compositions of one aluminous and one sub-aluminous paragneiss samples predict a biotite-kyanite-garnet-quartz-plagioclase-K-feldspar-liquid-rutile ± ilmenite field, in which biotite-dehydration melting occurs, located in the P-T range of ~ 800-875 °C and ~ 10-17 kbar. In addition, the topologies of these pseudosections are consistent with substantial melt loss during prograde metamorphism. A second set of P-T pseudosections with melt-reintegrated model bulk compositions were thus constructed to evaluate the effect of melt loss. The integration of textural information, precise mineral modes, mineral chemistry, and phase equilibria modelling allowed to constrain a P-T path where the rocks are buried to lower crustal depths at peak P-T conditions higher than 14 kbar and 825 °C, possibly in the order of 15-16 kbar and 850 °C, followed by decompression and cooling to P-T conditions of around 9 kbar and 810 °C, under which the remaining melt was solidified. The implications for granite production at the NBA and for Himalayan tectonic models

Melt analysis of mismatch amplification mutation assays (Melt-MAMA: a functional study of a cost-effective SNP genotyping assay in bacterial models.

Directory of Open Access Journals (Sweden)

Dawn N Birdsell

Full Text Available Single nucleotide polymorphisms (SNPs are abundant in genomes of all species and biologically informative markers extensively used across broad scientific disciplines. Newly identified SNP markers are publicly available at an ever-increasing rate due to advancements in sequencing technologies. Efficient, cost-effective SNP genotyping methods to screen sample populations are in great demand in well-equipped laboratories, but also in developing world situations. Dual Probe TaqMan assays are robust but can be cost-prohibitive and require specialized equipment. The Mismatch Amplification Mutation Assay, coupled with melt analysis (Melt-MAMA, is flexible, efficient and cost-effective. However, Melt-MAMA traditionally suffers from high rates of assay design failures and knowledge gaps on assay robustness and sensitivity. In this study, we identified strategies that improved the success of Melt-MAMA. We examined the performance of 185 Melt-MAMAs across eight different pathogens using various optimization parameters. We evaluated the effects of genome size and %GC content on assay development. When used collectively, specific strategies markedly improved the rate of successful assays at the first design attempt from ~50% to ~80%. We observed that Melt-MAMA accurately genotypes across a broad DNA range (~100 ng to ~0.1 pg. Genomic size and %GC content influence the rate of successful assay design in an independent manner. Finally, we demonstrated the versatility of these assays by the creation of a duplex Melt-MAMA real-time PCR (two SNPs and conversion to a size-based genotyping system, which uses agarose gel electrophoresis. Melt-MAMA is comparable to Dual Probe TaqMan assays in terms of design success rate and accuracy. Although sensitivity is less robust than Dual Probe TaqMan assays, Melt-MAMA is superior in terms of cost-effectiveness, speed of development and versatility. We detail the parameters most important for the successful application of

Double melting in polytetrafluoroethylene γ-irradiated above its melting point

International Nuclear Information System (INIS)

Serov, S.A.; Khatipov, S.A.; Sadovskaya, N.V.; Tereshenkov, A.V.; Chukov, N.A.

2012-01-01

Highlights: ► PTFE irradiation leads to formation of double melting peaks in DSC curves. ► This is connected to dual crystalline morphology typical for PTFE. ► Two crystalline types exist in the PTFE irradiated in the melt. - Abstract: PTFE irradiation above its melting point leads to formation of double melting and crystallization peaks in DSC curves. Splitting of melting peaks is connected to dual crystalline morphology typical for PTFE irradiated in the melt. According to electron microscopy, two crystalline types with different size and packing density exist in the irradiated PTFE.

Linking Complexity and Sustainability Theories: Implications for Modeling Sustainability Transitions

Directory of Open Access Journals (Sweden)

Camaren Peter

2014-03-01

Full Text Available In this paper, we deploy a complexity theory as the foundation for integration of different theoretical approaches to sustainability and develop a rationale for a complexity-based framework for modeling transitions to sustainability. We propose a framework based on a comparison of complex systems’ properties that characterize the different theories that deal with transitions to sustainability. We argue that adopting a complexity theory based approach for modeling transitions requires going beyond deterministic frameworks; by adopting a probabilistic, integrative, inclusive and adaptive approach that can support transitions. We also illustrate how this complexity-based modeling framework can be implemented; i.e., how it can be used to select modeling techniques that address particular properties of complex systems that we need to understand in order to model transitions to sustainability. In doing so, we establish a complexity-based approach towards modeling sustainability transitions that caters for the broad range of complex systems’ properties that are required to model transitions to sustainability.

Shear effects on crystallization behaviors and structure transitions of isotactic poly-1-butene

DEFF Research Database (Denmark)

Li, Jingqing; Guan, Peipei; Zhang, Yao

2014-01-01

Different melt pre-shear conditions were applied to isotactic poly-1-butene (iP-1-B) and the effect on the crystallization behaviors and the crystalline structure transitions of iP-1-B were investigated. The polarized optical microscope observations during isothermal crystallization process...... revealed that the applied melt pre-shear within the experimental range could enhance the nucleation of crystal II and accelerate the diameter growth of the formed spherulites. If the applied melt pre-shear rate was large enough, Shish-Kebabs structure could be formed. After the isothermal crystallization...... was formed in the melt pre-sheared iP-1-B samples. Further investigations were applied with synchrotron radiation instruments. Wide angle X-ray scattering (WAXS) and small angle X-ray scattering (SAXS) after the crystal transition showed that the applied melt pre-shear could result in orientated fine...

Generalized melting criterion for beam-induced amorphization

International Nuclear Information System (INIS)

Lam, N. Q.; Okamoto, Paul R.

1993-09-01

Recent studies have shown that the mean-square static atomic displacements provide a generic measure of the enthalpy stored in the lattice in the form of chemical and topological disorder, and that the effect of the displacements on the softening of shear elastic constants is identical to that of heating. This finding lends support to a generalized form of the Lindemann phenomenological melting criterion and leads to a natural interpretion of crystalline-to-amorphous transformations as defect-induced melting of metastable crystals driven beyond a critical state of disorder where the melting temperature falls below the glass-transition temperature. Application of the generalized Lindemann criterion to both the crystalline and amorphous phases indicates that the enthalpies of the two phases become identical when their shear moduli become equal. This thermo-elastic rule provides a basis for predicting the relative susceptibility of compounds to amorphization in terms of their elastic properties as measured by Debye temperatures. The present approach can explain many of the basic findings on beam-induced amorphization of intermetallic compounds as well as amorphous phase formation associated with ion implantation, ion-beam mixing and other solid-state processes

Meteorological conditions associated to high sublimation amounts in semiarid high-elevation Andes decrease the performance of empirical melt models

Science.gov (United States)

Ayala, Alvaro; Pellicciotti, Francesca; MacDonell, Shelley; McPhee, James; Burlando, Paolo

2015-04-01

Empirical melt (EM) models are often preferred to surface energy balance (SEB) models to calculate melt amounts of snow and ice in hydrological modelling of high-elevation catchments. The most common reasons to support this decision are that, in comparison to SEB models, EM models require lower levels of meteorological data, complexity and computational costs. However, EM models assume that melt can be characterized by means of a few index variables only, and their results strongly depend on the transferability in space and time of the calibrated empirical parameters. In addition, they are intrinsically limited in accounting for specific process components, the complexity of which cannot be easily reconciled with the empirical nature of the model. As an example of an EM model, in this study we use the Enhanced Temperature Index (ETI) model, which calculates melt amounts using air temperature and the shortwave radiation balance as index variables. We evaluate the performance of the ETI model on dry high-elevation sites where sublimation amounts - that are not explicitly accounted for the EM model - represent a relevant percentage of total ablation (1.1 to 8.7%). We analyse a data set of four Automatic Weather Stations (AWS), which were collected during the ablation season 2013-14, at elevations between 3466 and 4775 m asl, on the glaciers El Tapado, San Francisco, Bello and El Yeso, which are located in the semiarid Andes of central Chile. We complement our analysis using data from past studies in Juncal Norte Glacier (Chile) and Haut Glacier d'Arolla (Switzerland), during the ablation seasons 2008-09 and 2006, respectively. We use the results of a SEB model, applied to each study site, along the entire season, to calibrate the ETI model. The ETI model was not designed to calculate sublimation amounts, however, results show that their ability is low also to simulate melt amounts at sites where sublimation represents larger percentages of total ablation. In fact, we

Shear-induced anisotropic plastic flow from body-centred-cubic tantalum before melting

Science.gov (United States)

Wu, Christine J.; Söderlind, Per; Glosli, James N.; Klepeis, John E.

2009-03-01

There are many structural and optical similarities between a liquid and a plastic flow. Thus, it is non-trivial to distinguish between them at high pressures and temperatures, and a detailed description of the transformation between these phenomena is crucial to our understanding of the melting of metals at high pressures. Here we report a shear-induced, partially disordered viscous plastic flow from body-centred-cubic tantalum under heating before it melts into a liquid. This thermally activated structural transformation produces a unique, one-dimensional structure analogous to a liquid crystal with the rheological characteristics of Bingham plastics. This mechanism is not specific to Ta and is expected to hold more generally for other metals. Remarkably, this transition is fully consistent with the previously reported anomalously low-temperature melting curve and thus offers a plausible resolution to a long-standing controversy about melting of metals under high pressures.

Panel Smooth Transition Regression Models

DEFF Research Database (Denmark)

González, Andrés; Terasvirta, Timo; Dijk, Dick van

We introduce the panel smooth transition regression model. This new model is intended for characterizing heterogeneous panels, allowing the regression coefficients to vary both across individuals and over time. Specifically, heterogeneity is allowed for by assuming that these coefficients are bou...

Constant electrical resistivity of Ni along the melting boundary up to 9 GPa

Science.gov (United States)

Silber, Reynold E.; Secco, Richard A.; Yong, Wenjun

2017-07-01

Characterization of transport properties of liquid Ni at high pressures has important geophysical implications for terrestrial planetary interiors, because Ni is a close electronic analogue of Fe and it is also integral to Earth's core. We report measurements of the electrical resistivity of solid and liquid Ni at pressures 3-9 GPa using a 3000 t multianvil large volume press. A four-wire method, in conjunction with a rapid acquisition meter and polarity switch, was used to overcome experimental challenges such as melt containment and maintaining sample geometry and to mitigate the extreme reactivity/solubility of liquid Ni with most thermocouple and electrode materials. Thermal conductivity is calculated using the Wiedemann-Franz law. Electrical resistivity of solid Ni exhibits the expected P dependence and is consistent with earlier experimental values. Within experimental uncertainties, our results indicate that resistivity of liquid Ni remains invariant along the P-dependent melting boundary, which is in disagreement with earlier prediction for liquid transition metals. The potential reasons for such behavior are examined qualitatively through the impact of P-independent local short-range ordering on electron mean free path and the possibility of constant Fermi surface at the onset of Ni melting. Correlation among metals obeying the Kadowaki-Woods ratio and the group of late transition metals with unfilled d-electron band displaying anomalously shallow melting curves suggests that on the melting boundary, Fe may exhibit the same resistivity behavior as Ni. This could have important implications for the heat flow in the Earth's core.

A coupled melt-freeze temperature index approach in a one-layer model to predict bulk volumetric liquid water content dynamics in snow

Science.gov (United States)

Avanzi, Francesco; Yamaguchi, Satoru; Hirashima, Hiroyuki; De Michele, Carlo

2016-04-01

Liquid water in snow rules runoff dynamics and wet snow avalanches release. Moreover, it affects snow viscosity and snow albedo. As a result, measuring and modeling liquid water dynamics in snow have important implications for many scientific applications. However, measurements are usually challenging, while modeling is difficult due to an overlap of mechanical, thermal and hydraulic processes. Here, we evaluate the use of a simple one-layer one-dimensional model to predict hourly time-series of bulk volumetric liquid water content in seasonal snow. The model considers both a simple temperature-index approach (melt only) and a coupled melt-freeze temperature-index approach that is able to reconstruct melt-freeze dynamics. Performance of this approach is evaluated at three sites in Japan. These sites (Nagaoka, Shinjo and Sapporo) present multi-year time-series of snow and meteorological data, vertical profiles of snow physical properties and snow melt lysimeters data. These data-sets are an interesting opportunity to test this application in different climatic conditions, as sites span a wide latitudinal range and are subjected to different snow conditions during the season. When melt-freeze dynamics are included in the model, results show that median absolute differences between observations and predictions of bulk volumetric liquid water content are consistently lower than 1 vol%. Moreover, the model is able to predict an observed dry condition of the snowpack in 80% of observed cases at a non-calibration site, where parameters from calibration sites are transferred. Overall, the analysis show that a coupled melt-freeze temperature-index approach may be a valid solution to predict average wetness conditions of a snow cover at local scale.

Dynamic fragmentation of laser shock-melted tin: experiment and modelling

Energy Technology Data Exchange (ETDEWEB)

De Resseguier, T. [CNRS ENSMA, Lab Combust and Deton, F-86961 Futuroscope (France); Signor, L.; Dragon, A. [CNRS ENSMA, Mecan and Phys Mat Lab, F-86961 Futuroscope (France); Signor, L.; Roy, G. [CEA Valduc, 21 - Is-sur-Tille (France)

2010-07-01

Dynamic fragmentation of shock-loaded metals is an issue of considerable importance for both basic science and a variety of technological applications, such as pyrotechnics or inertial confinement fusion, the latter involving high energy laser irradiation of thin metallic shells. Whereas spall fracture in solid materials has been extensively studied for many years, little data can be found yet about the evolution of this phenomenon after partial or full melting on compression or on release. Here, we present an investigation of dynamic fragmentation in laser shock-melted tin, from the 'micro-spall' process (ejection of a cloud of fine droplets) occurring upon reflection of the compressive pulse from the target free surface, to the late rupture observed in the un-spalled melted layer (leading to the formation of larger spherical fragments). Experimental results consist of time-resolved velocity measurements and post-shock observations of recovered targets and fragments. They provide original information regarding the loss of tensile strength associated with melting, the cavitation mechanism likely to occur in the melted metal, the sizes of the subsequent fragments and their ejection velocities. A theoretical description based on an energetic approach adapted to the case of a liquid metal is implemented as a failure criterion in a one-dimensional hydro-code including a multi-phase equation of state for tin. The resulting predictions of the micro-spall process are compared with experimental data. In particular, the use of a new experimental technique to quantify the fragment size distributions leads to a much better agreement with theory than previously reported. Finally, a complementary approach focused on cavitation is proposed to evaluate the role of this phenomenon in the fragmentation of the melted metal. (authors)

How much can Greenland melt? An upper bound on mass loss from the Greenland Ice Sheet through surface melting

Science.gov (United States)

Liu, X.; Bassis, J. N.

2015-12-01

With observations showing accelerated mass loss from the Greenland Ice Sheet due to surface melt, the Greenland Ice Sheet is becoming one of the most significant contributors to sea level rise. The contribution of the Greenland Ice Sheet o sea level rise is likely to accelerate in the coming decade and centuries as atmospheric temperatures continue to rise, potentially triggering ever larger surface melt rates. However, at present considerable uncertainty remains in projecting the contribution to sea level of the Greenland Ice Sheet both due to uncertainty in atmospheric forcing and the ice sheet response to climate forcing. Here we seek an upper bound on the contribution of surface melt from the Greenland to sea level rise in the coming century using a surface energy balance model coupled to an englacial model. We use IPCC Representative Concentration Pathways (RCP8.5, RCP6, RCP4.5, RCP2.6) climate scenarios from an ensemble of global climate models in our simulations to project the maximum rate of ice volume loss and related sea-level rise associated with surface melting. To estimate the upper bound, we assume the Greenland Ice Sheet is perpetually covered in thick clouds, which maximize longwave radiation to the ice sheet. We further assume that deposition of black carbon darkens the ice substantially turning it nearly black, substantially reducing its albedo. Although assuming that all melt water not stored in the snow/firn is instantaneously transported off the ice sheet increases mass loss in the short term, refreezing of retained water warms the ice and may lead to more melt in the long term. Hence we examine both assumptions and use the scenario that leads to the most surface melt by 2100. Preliminary models results suggest that under the most aggressive climate forcing, surface melt from the Greenland Ice Sheet contributes ~1 m to sea level by the year 2100. This is a significant contribution and ignores dynamic effects. We also examined a lower bound

Generalized Thermohydraulics Module GENFLO for Combining With the PWR Core Melting Model, BWR Recriticality Neutronics Model and Fuel Performance Model

International Nuclear Information System (INIS)

Miettinen, Jaakko; Hamalainen, Anitta; Pekkarinen, Esko

2002-01-01

Thermal hydraulic simulation capability for accident conditions is needed at present in VTT in several programs. Traditional thermal hydraulic models are too heavy for simulation in the analysis tasks, where the main emphasis is the rapid neutron dynamics or the core melting. The GENFLO thermal hydraulic model has been developed at VTT for special applications in the combined codes. The basic field equations in GENFLO are for the phase mass, the mixture momentum and phase energy conservation equations. The phase separation is solved with the drift flux model. The basic variables to be solved are the pressure, void fraction, mixture velocity, gas enthalpy, liquid enthalpy, and concentration of non-condensable gas fractions. The validation of the thermohydraulic solution alone includes large break LOCA reflooding experiments and in specific for the severe accident conditions QUENCH tests. In the recriticality analysis the core neutronics is simulated with a two-dimensional transient neutronics code TWODIM. The recriticality with one rapid prompt peak is expected during a severe accident scenario, where the control rods have been melted and ECCS reflooding is started after the depressurization. The GENFLO module simulates the BWR thermohydraulics in this application. The core melting module has been developed for the real time operator training by using the APROS engineering simulators. The core heatup, oxidation, metal and fuel pellet relocation and corium pool formation into the lower plenum are calculated. In this application the GENFLO model simulates the PWR vessel thermohydraulics. In the fuel performance analysis the fuel rod transient behavior is simulated with the FRAPTRAN code. GENFLO simulates the subchannel around a single fuel rod and delivers the heat transfer on the cladding surface for the FRAPTRAN. The transient boundary conditions for the subchannel are transmitted from the system code for operational transient, loss of coolant accidents and

Erosion of melt layers developed during a plasma disruption

International Nuclear Information System (INIS)

Hassanein, A.; Konkashbaev, A.; Konkashbaev, I.

1994-08-01

Material erosion of plasma-facing components during a tokamak disruption is a serious problem that limits reactor operation and economical reactor lifetime. In particular, metallic low-Z components such as Be will be subjected to severe melting during disruptions and edge localized models (ELMs). Loss of the developed melt layer will critically shorten the lifetime of these components, severely contaminate the plasma, and seriously inhibit successful and reliable operation of the reactor. In this study mechanisms responsible for melt-layer loss during a disruption are modeled and evaluated. Implications of melt-layer loss on the performance of metallic facing components in the reactor environment are discussed

An intermittency model for predicting roughness induced transition

Science.gov (United States)

Ge, Xuan; Durbin, Paul

2014-11-01

An extended model for roughness-induced transition is proposed based on an intermittency transport equation for RANS modeling formulated in local variables. To predict roughness effects in the fully turbulent boundary layer, published boundary conditions for k and ω are used, which depend on the equivalent sand grain roughness height, and account for the effective displacement of wall distance origin. Similarly in our approach, wall distance in the transition model for smooth surfaces is modified by an effective origin, which depends on roughness. Flat plate test cases are computed to show that the proposed model is able to predict the transition onset in agreement with a data correlation of transition location versus roughness height, Reynolds number, and inlet turbulence intensity. Experimental data for a turbine cascade are compared with the predicted results to validate the applicability of the proposed model. Supported by NSF Award Number 1228195.

Modelling of RPV lower head under core melt severe accident condition using OpenFOAM

International Nuclear Information System (INIS)

Madokoro, Hiroshi; Kretzschmar, Frank; Miassoedov, Alexei

2017-01-01

Although six years have been passed since the tragic severe accident at Fukushima Daiichi, still large uncertainties exist in modeling of core degradation and reactor pressure vessel (RPV) failure. It is extremely important to obtain a better understanding of complex phenomena in the lower head in order to improve accident management measures. The possible failure mode of reactor pressure vessel and its failure time are especially a matter of importance. Thermal behavior of the molten pool can be simulated by the Phase-change Effective Convectivity Model (PECM), which is a distributed-parameter model developed in the Royal Institute of Technology (KTH), Sweden. The model calculates convective currents not using a pure CFD approach but based on so called “characteristic velocities” that are determined by empirical correlations depending on the geometry and physical properties of the molten pool. At the Karlsruhe Institute of Technology (KIT), the PECM has been implemented in the open-source CFD software OpenFOAM in order to receive detailed predictions of a core melt behavior in the RPV lower head under severe accident conditions. An advantage of using OpenFOAM is that it is very flexible to add and modify models and physical properties. In the current work, the solver is extended to couple PECM with a structure analysis model of the vessel wall. The model considers thermal expansion, plasticity, creep and damage. The model and physical properties are based on those implemented in ANSYS. Although the previous implementation had restriction that the amount of and geometry of the melt cannot be changed, our coupled model allows flexibility of the melt amount and geometry. The extended solver was used to simulate the LIVE-L1 and -L7V experiments and has demonstrated good prediction of the temperature distribution in the molten pool and heat flux distribution through the vessel wall. Regarding the vessel failure the model was applied to one of the FOREVER tests

Coordinated Hard Sphere Mixture (CHaSM): A fast approximate model for oxide and silicate melts at extreme conditions

Science.gov (United States)

Wolf, A. S.; Asimow, P. D.; Stevenson, D. J.

2015-12-01

Recent first-principles calculations (e.g. Stixrude, 2009; de Koker, 2013), shock-wave experiments (Mosenfelder, 2009), and diamond-anvil cell investigations (Sanloup, 2013) indicate that silicate melts undergo complex structural evolution at high pressure. The observed increase in cation-coordination (e.g. Karki, 2006; 2007) induces higher compressibilities and lower adiabatic thermal gradients in melts as compared with their solid counterparts. These properties are crucial for understanding the evolution of impact-generated magma oceans, which are dominated by the poorly understood behavior of silicates at mantle pressures and temperatures (e.g. Stixrude et al. 2009). Probing these conditions is difficult for both theory and experiment, especially given the large compositional space (MgO-SiO2-FeO-Al2O3-etc). We develop a new model to understand and predict the behavior of oxide and silicate melts at extreme P-T conditions (Wolf et al., 2015). The Coordinated Hard Sphere Mixture (CHaSM) extends the Hard Sphere mixture model, accounting for the range of coordination states for each cation in the liquid. Using approximate analytic expressions for the hard sphere model, this fast statistical method compliments classical and first-principles methods, providing accurate thermodynamic and structural property predictions for melts. This framework is applied to the MgO system, where model parameters are trained on a collection of crystal polymorphs, producing realistic predictions of coordination evolution and the equation of state of MgO melt over a wide P-T range. Typical Mg-coordination numbers are predicted to evolve continuously from 5.25 (0 GPa) to 8.5 (250 GPa), comparing favorably with first-principles Molecular Dynamics (MD) simulations. We begin extending the model to a simplified mantle chemistry using empirical potentials (generally accurate over moderate pressure ranges, consuming classical MD calculations. This approach also sheds light on the universality

Melting method for miscellaneous radioactive solid waste and melting furnace

International Nuclear Information System (INIS)

Osaki, Toru; Furukawa, Hirofumi; Uda, Nobuyoshi; Katsurai, Kiyomichi

1998-01-01

A vessel containing miscellaneous solid wastes is inserted in a crucible having a releasable material on the inner surface, they are induction-heated from the outside of the crucible by way of low temperature heating coils to melt low melting point materials in the miscellaneous wastes within a temperature range at which the vessel does not melt. Then, they are induction-heated by way of high temperature heating coils to melt the vessel and not yet melted materials, those molten materials are cooled, solidified molten material and the releasable material are taken out, and then the crucible is used again. Then, the crucible can be used again, so that it can be applied to a large scaled melting furnace which treats wastes by a unit of drum. In addition, since the cleaning of the used crucible and the application of the releasable material can be conducted without interrupting the operation of the melting furnace, the operation cycle of the melting furnace can be shortened. (N.H.)

Experiments and analyses on melt-structure-water interactions during severe accidents

International Nuclear Information System (INIS)

Seghal, B.R.; Dinh, T.N.; Bui, V.A.; Green, J.A.; Nourgaliev, R.R.; Okkonen, T.O.; Dinh, A.T.

1998-04-01

This report is the final report for the research project Melt Structure Water Interactions (MSWI). It describes results of analytical and experimental studies concerning MSWI during the course of a hypothetical core meltdown accident in a LWR. Emphasis has been placed on phenomena which govern vessel failure mode and timing and the mechanisms and properties which govern the fragmentation and breakup of melt jets and droplets. It was found that: 2-D effects significantly diminished the focusing effect of an overlying metallic layer on top of an oxide melt pool. This result improves the feasibility of in-vessel retention of a melt pool through external cooling of the lower head; phenomena related to hole ablation and melt discharge, in the event of vessel failure, are affected significantly by crust formation; the jet fragmentation process is a function of many related phenomena. The fragmentation rate depends not only on the traditional parameters but also on the melt physical properties, which change as the melt cools down from liquid to solid temperature; film boiling was investigated by developing a two-phase flow model and inserting it in a multi-D fluid dynamics code. It was concluded that the thickness of the film on the surface of a melt jet would be small and that the effects of the film on the process should not be large. This conclusion is contrary to the modeling employed in some other codes. The computer codes were developed and validated against the data obtained in the MSWI Project. The melt vessel interaction thermal analysis code describes the process of melt pool formation and convection and the resulting vessel thermal loadings. In addition, several innovative models were developed to describe the melt-water interaction process. The code MELT-3D treats the melt jet as a collection of particles whose movement is described with a three-dimensional Eulerian formulation. The model (SIPHRA) tracks the melt jet with an additional equation, using the

Theoretical Prediction of Melting Relations in the Deep Mantle: the Phase Diagram Approach

Science.gov (United States)

Belmonte, D.; Ottonello, G. A.; Vetuschi Zuccolini, M.; Attene, M.

2016-12-01

Despite the outstanding progress in computer technology and experimental facilities, understanding melting phase relations in the deep mantle is still an open challenge. In this work a novel computational scheme to predict melting relations at HP-HT by a combination of first principles DFT calculations, polymer chemistry and equilibrium thermodynamics is presented and discussed. The adopted theoretical framework is physically-consistent and allows to compute multi-component phase diagrams relevant to Earth's deep interior in a broad range of P-T conditions by a convex-hull algorithm for Gibbs free energy minimisation purposely developed for high-rank simplexes. The calculated phase diagrams are in turn used as a source of information to gain new insights on the P-T-X evolution of magmas in the deep mantle, providing some thermodynamic constraints to both present-day and early Earth melting processes. High-pressure melting curves of mantle silicates are also obtained as by-product of phase diagram calculation. Application of the above method to the MgO-Al2O3-SiO2 (MAS) ternary system highlights as pressure effects are not only able to change the nature of melting of some minerals (like olivine and pyroxene) from eutectic to peritectic (and vice versa), but also simplify melting relations by drastically reducing the number of phases with a primary phase field at HP-HT conditions. It turns out that mineral phases like Majorite-Pyrope garnet and Anhydrous Phase B (Mg14Si5O24), which are often disregarded in modelling melting processes of mantle assemblages, are stable phases at solidus or liquidus conditions in a P-T range compatible with the mantle transition zone (i.e. P = 16 - 23 GPa and T = 2200 - 2700 °C) when their thermodynamic and thermophysical properties are properly assessed. Financial support to the Senior Author (D.B.) during his stay as Invited Scientist at the Institut de Physique du Globe de Paris (IPGP, Paris) is warmly acknowledged.

Analytical model based on cohesive energy to indicate the edge and corner effects on melting temperature of metallic nanoparticles

International Nuclear Information System (INIS)

Shidpour, Reza; Hamid, Delavari H.; Vossoughi, M.

2010-01-01

Graphical abstract: The effect of edge and corner atoms of nanoparticle (solid line) cause melting temperature drops more compared to considering them as same as only surface atoms (dash line). This reduction is significant especially when the size of nanoparticle is below 10 nm. - Abstract: An analytical model based on cohesive energy has been conducted to study the effects of edge, corner, and inward surface relaxation as varying parameters on melting temperature of nanoparticles. It is shown that taking into account the edge and corner (EC) atoms of nanoparticle, causes to drop melting temperature more, when compared to consider them the same as only surface atoms. This reduction is significant especially when the size of nanoparticle is below 10 nm. The results are supported by available experimental results of tin, lead and gold melting temperature (T m ). Finally, it is shown that inward relaxation increases melting temperature slightly.

Effects of the ingot phase transition on microstructure and magnetic properties of CeNdFeB melt-spun ribbons

Energy Technology Data Exchange (ETDEWEB)

Wang, Xuchao [Division of Functional Materials Research, Central Iron and Steel Research Institute, Beijing 100081, China (China); College of Sciences, Northeastern University, Shenyang 110819 (China); Zhu, Minggang, E-mail: mgzhu@126.com [Division of Functional Materials Research, Central Iron and Steel Research Institute, Beijing 100081, China (China); Li, Wei; Zheng, Liyun; Guo, Zhaohui; Du, Xiao [Division of Functional Materials Research, Central Iron and Steel Research Institute, Beijing 100081, China (China); Du, An [College of Sciences, Northeastern University, Shenyang 110819 (China)

2015-11-01

The paper studies the phase transition of ingot with the composition (Ce{sub 50}Nd{sub 50}){sub 30}Fe{sub bal}Co{sub 4}Ga{sub 0.2}B{sub 0.92} after the annealing treatment at 1050 °C. The melt-spun ribbons which is prepared by the two treatment status ingots. The phase structure and microstructure morphologies of the ingots and melt-spun ribbons were analysed and observed by XRD and SEM. It was found that the grain size of the ribbons is on the nanometer scale. The EDS results show that there are four different phases in the ingot: (CeNd){sub 2}Fe{sub 14}B, α-Fe, Ce-rich phase and Nd-rich phase. After the annealing treatment, α-Fe, Ce-rich phase, and Nd-rich phase were obviously reduced and the contents of the main phase was significantly increased in the annealed ingot compared with the unanneal treatment ingot. The VSM results show that there is a peak waist in the ribbon which is prepared by the untreated ingot. Because the ingot is uneven, the ribbons may have the secondary phase, the Hcj is 8394 Oe. But the demagnetization curves of the ribbons, which is prepared by the annealed ingot, is relatively smooth and without the soft magnetic phase and the Hcj is 12,528 Oe, which is higher than the unanneal treatment ingot. We can know that the ingot with fine organization is the key factors to preparing high-performance ribbons.

A Model of Mental State Transition Network

Science.gov (United States)

Xiang, Hua; Jiang, Peilin; Xiao, Shuang; Ren, Fuji; Kuroiwa, Shingo

Emotion is one of the most essential and basic attributes of human intelligence. Current AI (Artificial Intelligence) research is concentrating on physical components of emotion, rarely is it carried out from the view of psychology directly(1). Study on the model of artificial psychology is the first step in the development of human-computer interaction. As affective computing remains unpredictable, creating a reasonable mental model becomes the primary task for building a hybrid system. A pragmatic mental model is also the fundament of some key topics such as recognition and synthesis of emotions. In this paper a Mental State Transition Network Model(2) is proposed to detect human emotions. By a series of psychological experiments, we present a new way to predict coming human's emotions depending on the various current emotional states under various stimuli. Besides, people in different genders and characters are taken into consideration in our investigation. According to the psychological experiments data derived from 200 questionnaires, a Mental State Transition Network Model for describing the transitions in distribution among the emotions and relationships between internal mental situations and external are concluded. Further more the coefficients of the mental transition network model were achieved. Comparing seven relative evaluating experiments, an average precision rate of 0.843 is achieved using a set of samples for the proposed model.

Melting of the moving vortex lattice in the presence of disorder

International Nuclear Information System (INIS)

Koshelev, A.E.; Vinokur, V.M.

1994-07-01

The authors investigate the melting of the two-dimensional vortex lattice moving in an inhomogeneous environment under the applied current j. They predict the existence of a dynamic phase transition at some current j = j t (crystallization current) from the motion of the amorphous configuration at j t to the motion of the crystal at j > j t . j t exceeds essentially the critical current j c for strongly disordered systems and approaches j c with the decrease of the degree of disorder. They find that j t diverges as temperature approaches the melting temperature of the undisturbed lattice

About the Shape of the Melting Line as a Possible Precursor of a Liquid-Liquid Phase Transition

Science.gov (United States)

Imre, Attila R.; Rzoska, Sylwester J.

Several simple, non-mesogenic liquids can exists in two or more different liquid forms. When the liquid-liquid line, separating two liquid forms, meets the melting line, one can expect some kind of break on the melting line, caused by the different freezing/melting behaviour of the two liquid forms. Unfortunately recently several researchers are using this vein of thinking in reverse; seeing some irregularity on the melting line, they will expect a break and the appearance of a liquid-liquid line. In this short paper, we are going to show, that in the case of the high-pressure nitrogen studied recently by Mukherjee and Boehler, the high-pressure data can be easily described by a smooth, break-free function, the modified Simon-Glatzel equation. In this way, the break, suggested by them and consequently the suggested appearance of a new liquid phase of the nitrogen might be artefacts.

Shape evolution of a melting nonspherical particle

Science.gov (United States)

Kintea, Daniel M.; Hauk, Tobias; Roisman, Ilia V.; Tropea, Cameron

2015-09-01

In this study melting of irregular ice crystals was observed in an acoustic levitator. The evolution of the particle shape is captured using a high-speed video system. Several typical phenomena have been discovered: change of the particle shape, appearance of a capillary flow of the melted liquid on the particle surface leading to liquid collection at the particle midsection (where the interface curvature is smallest), and appearance of sharp cusps at the particle tips. No such phenomena can be observed during melting of spherical particles. An approximate theoretical model is developed which accounts for the main physical phenomena associated with melting of an irregular particle. The agreement between the theoretical predictions for the melting time, for the evolution of the particle shape, and the corresponding experimental data is rather good.

Arctic melt ponds and bifurcations in the climate system

Science.gov (United States)

Sudakov, I.; Vakulenko, S. A.; Golden, K. M.

2015-05-01

Understanding how sea ice melts is critical to climate projections. In the Arctic, melt ponds that develop on the surface of sea ice floes during the late spring and summer largely determine their albedo - a key parameter in climate modeling. Here we explore the possibility of a conceptual sea ice climate model passing through a bifurcation point - an irreversible critical threshold as the system warms, by incorporating geometric information about melt pond evolution. This study is based on a bifurcation analysis of the energy balance climate model with ice-albedo feedback as the key mechanism driving the system to bifurcation points.

Diffraction model of a step-out transition

Energy Technology Data Exchange (ETDEWEB)

Chao, A.W.; Zimmermann, F.

1996-06-01

The diffraction model of a cavity, suggested by Lawson, Bane and Sands is generalized to a step out transition. Using this model, the high frequency impedance is calculated explicitly for the case that the transition step is small compared with the beam pipe radius. In the diffraction model for a small step out transition, the total energy is conserved, but, unlike the cavity case, the diffracted waves in the geometric shadow and the pipe region, in general, do not always carry equal energy. In the limit of small step sizes, the impedance derived from the diffraction model agrees with that found by Balakin, Novokhatsky and also Kheifets. This impedance can be used to compute the wake field of a round collimator whose half aperture is much larger than the bunch length, as existing in the SLC final focus.

Melting of KCl and pressure calibration from in situ ionic conductivity measurements in a multi-anvil apparatus

Science.gov (United States)

Li, J.; Dong, J.; Zhu, F.

2017-12-01

Melting plays an unparalleled role in planetary differentiation processes including the formation of metallic cores, basaltic crusts, and atmospheres. Knowledge of the melting behavior of Earth materials provides critical constraints for establishing the Earth's thermal structure, interpreting regional seismic anomalies, and understanding the nature of chemical heterogeneity. Measuring the melting points of compressed materials, however, have remained challenging mainly because melts are often mobile and reactive, and temperature and pressure gradients across millimeter or micron-sized samples introduce large uncertainties in melting detection. Here the melting curve of KCl was determined through in situ ionic conductivity measurements, using the multi-anvil apparatus at the University of Michigan. The method improves upon the symmetric configuration that was used recently for studying the melting behaviors of NaCl, Na2CO3, and CaCO3 (Li and Li 2015 American Mineralogist, Li et al. 2017 Earth and Planetary Science Letters). In the new configuration, the thermocouple and electrodes are placed together with the sample at the center of a cylindrical heater where the temperature is the highest along the axis, in order to minimize uncertainties in temperature measurements and increase the stability of the sample and electrodes. With 1% reproducibility in melting point determination at pressures up to 20 GPa, this method allows us to determine the sample pressure to oil load relationship at high temperatures during multiple heating and cooling cycles, on the basis of the well-known melting curves of ionic compounds. This approach enables more reliable pressure measurements than relying on a small number of fixed-point phase transitions. The new data on KCl bridge the gap between the piston-cylinder results up to 4 GPa (Pistorius 1965 J. of Physics and Chemistry of Solids) and several diamond-anvil cell data points above 20 GPa (Boehler et al. 1996 Physical Review). We

Theoretical study of a melting curve for tin

International Nuclear Information System (INIS)

Feng, Xi; Ling-Cang, Cai

2009-01-01

The melting curve of Sn has been calculated using the dislocation-mediated melting model with the 'zone-linking method'. The results are in good agreement with the experimental data. According to our calculation, the melting temperature of γ-Sn at zero pressure is about 436 K obtained by the extrapolation of the method from the triple point of Sn. The results show that this calculation method is better than other theoretical methods for predicting the melting curve of polymorphic material Sn. (condensed matter: structure, thermal and mechanical properties)

Deep pooling of low degree melts and volatile fluxes at the 85°E segment of the Gakkel Ridge: Evidence from olivine-hosted melt inclusions and glasses

Science.gov (United States)

Shaw, Alison M.; Behn, Mark D.; Humphris, Susan E.; Sohn, Robert A.; Gregg, Patricia M.

2010-01-01

We present new analyses of volatile, major, and trace elements for a suite of glasses and melt inclusions from the 85°E segment of the ultra-slow spreading Gakkel Ridge. Samples from this segment include limu o pele and glass shards, proposed to result from CO 2-driven explosive activity. The major element and volatile compositions of the melt inclusions are more variable and consistently more primitive than the glass data. CO 2 contents in the melt inclusions extend to higher values (167-1596 ppm) than in the co-existing glasses (187-227 ppm), indicating that the melt inclusions were trapped at greater depths. These melt inclusions record the highest CO 2 melt concentrations observed for a ridge environment. Based on a vapor saturation model, we estimate that the melt inclusions were trapped between seafloor depths (˜ 4 km) and ˜ 9 km below the seafloor. However, the glasses are all in equilibrium with their eruption depths, which is inconsistent with the rapid magma ascent rates expected for explosive activity. Melting conditions inferred from thermobarometry suggest relatively deep (25-40 km) and cold (1240°-1325 °C) melting conditions, consistent with a thermal structure calculated for the Gakkel Ridge. The water contents and trace element compositions of the melt inclusions and glasses are remarkably homogeneous; this is an unexpected result for ultra-slow spreading ridges, where magma mixing is generally thought to be less efficient based on the assumption that steady-state crustal magma chambers are absent in these environments. All melts can be described by a single liquid line of descent originating from a pooled melt composition that is consistent with the aggregate melt calculated from a geodynamic model for the Gakkel Ridge. These data suggest a model in which deep, low degree melts are efficiently pooled in the upper mantle (9-20 km depth), after which crystallization commences and continues during ascent and eruption. Based on our melting model

A thermodynamical model for the surface tension of silicate melts in contact with H2O gas

Science.gov (United States)

Colucci, Simone; Battaglia, Maurizio; Trigila, Raffaello

2016-01-01

Surface tension plays an important role in the nucleation of H2O gas bubbles in magmatic melts and in the time-dependent rheology of bubble-bearing magmas. Despite several experimental studies, a physics based model of the surface tension of magmatic melts in contact with H2O is lacking. This paper employs gradient theory to develop a thermodynamical model of equilibrium surface tension of silicate melts in contact with H2O gas at low to moderate pressures. In the last decades, this approach has been successfully applied in studies of industrial mixtures but never to magmatic systems. We calibrate and verify the model against literature experimental data, obtained by the pendant drop method, and by inverting bubble nucleation experiments using the Classical Nucleation Theory (CNT). Our model reproduces the systematic decrease in surface tension with increased H2O pressure observed in the experiments. On the other hand, the effect of temperature is confirmed by the experiments only at high pressure. At atmospheric pressure, the model shows a decrease of surface tension with temperature. This is in contrast with a number of experimental observations and could be related to microstructural effects that cannot be reproduced by our model. Finally, our analysis indicates that the surface tension measured inverting the CNT may be lower than the value measured by the pendant drop method, most likely because of changes in surface tension controlled by the supersaturation.

Changes in structure of the short-range order of the InP melt when heated

International Nuclear Information System (INIS)

Glazov, V.M.; Dovletov, K.; Nashel'skij, A.Ya.; Mamedov, M.M.

1977-01-01

An investigation of the temperature dependence of the InP viscosity has indicated an ''after-melting'' effect similar to that observed in other A 3 V 5 compounds having a sphalerite structure. The termodynamic parameters of the viscous flow of indium phosphide melt have been calculated, and a suggestion has been made on the loosening of the short-range order structure of the melt during the period preceding solidification. With the similarity in the behaviour of InP and of A 3 Sb compound melts as a basis, a suggestion has been put forward that the influence of the thermal dissociation upon the character of the changes in the short-range order structure directly after transition from the solid to the liquid phase is negligible

Pressure-jump induced rapid solidification of melt: a method of preparing amorphous materials

Science.gov (United States)

Liu, Xiuru; Jia, Ru; Zhang, Doudou; Yuan, Chaosheng; Shao, Chunguang; Hong, Shiming

2018-04-01

By using a self-designed pressure-jump apparatus, we investigated the melt solidification behavior in rapid compression process for several kinds of materials, such as elementary sulfur, polymer polyether-ether-ketone (PEEK) and poly-ethylene-terephthalate, alloy La68Al10Cu20Co2 and Nd60Cu20Ni10Al10. Experimental results clearly show that their melts could be solidified to be amorphous states through the rapid compression process. Bulk amorphous PEEK with 24 mm in diameter and 12 mm in height was prepared, which exceeds the size obtained by melt quenching method. The bulk amorphous sulfur thus obtained exhibited extraordinarily high thermal stability, and an abnormal exothermic transition to liquid sulfur was observed at around 396 K for the first time. Furthermore, it is suggested that the glass transition pressure and critical compression rate exist to form the amorphous phase. This approach of rapid compression is very attractive not only because it is a new technique of make bulk amorphous materials, but also because novel properties are expected in the amorphous materials solidified by the pressure-jump within milliseconds or microseconds.

Numerical and experimental investigation of the melt casting of explosives

Energy Technology Data Exchange (ETDEWEB)

Sun, Dawei; Garimella, Suresh V. [School of Mechanical Engineering, Purdue University, West Lafayette, IN 47907-2088 (United States); Singh, Sanjeev; Naik, Neelam [US Army Armaments Research, Development and Engineering Center, Picatinny Arsenal, NJ 07806 (United States)

2005-10-01

Melt casting of energetic materials is investigated, and a numerical model is formulated for the analysis of the coupled fluid flow, heat transfer, and stress fields involved in this phase-change process. The numerical model is based on a conservative multi block control volume method. The SIMPLE algorithm is employed along with an enthalpy method approach to model the solidification process. Results from the model are verified against analytical solutions, experimental results, and published numerical results for simplified cases. In the melt casting of RDX-binder mixtures, the very high viscosity of the melt limits the influence of melt convection. The impacts of different cooling conditions on the velocity, temperature and stress distributions, as well as on the solidification time, are discussed. The present model can be used to improve the quality of cast explosives, by optimizing and controlling the processing conditions. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

Investigation of the stability of melt flow in gating systems

DEFF Research Database (Denmark)

Tiedje, Niels Skat; Larsen, Per

2011-01-01

Melt flow in four different gating systems designed for production of brake discs was analysed experimentally and by numerical modelling. In the experiments moulds were fitted with glass fronts and melt flow was recorded on video. The video recordings were compared with modelling of melt flow...... in the gating systems. Particular emphasis was on analysing local pressure and formation of pressure waves in the gating system. It was possible to compare melt flow patterns in experiments directly to modelled flow patterns. Generally there was good agreement between flow patterns and filling times. However...... description of free liquid surfaces proved to be incorrect in the numerical model. Modelled pressure fields served to explain how specific parts of the gating systems cause instability and are a good tool to describe the quality of a gating system. The results shows clearly that sharp changes in the geometry...

Comparative Study on Two Melting Simulation Methods: Melting Curve of Gold

International Nuclear Information System (INIS)

Liu Zhong-Li; Li Rui; Sun Jun-Sheng; Zhang Xiu-Lu; Cai Ling-Cang

2016-01-01

Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently. A high-efficiency melting simulation method saves much simulation time and computational resources. To compare the efficiency of our newly developed shock melting (SM) method with that of the well-established two-phase (TP) method, we calculate the high-pressure melting curve of Au using the two methods based on the optimally selected interatomic potentials. Although we only use 640 atoms to determine the melting temperature of Au in the SM method, the resulting melting curve accords very well with the results from the TP method using much more atoms. Thus, this shows that a much smaller system size in SM method can still achieve a fully converged melting curve compared with the TP method, implying the robustness and efficiency of the SM method. (paper)

Boron-implantation-induced crystalline-to-amorphous transition in nickel: An experimental assessment of the generalized Lindemann melting criterion

International Nuclear Information System (INIS)

Liu, P.C.; Okamoto, P.R.; Zaluzec, N.J.; Meshii, M.

1999-01-01

The generalized Lindemann melting hypothesis has recently been used to develop a unified thermodynamic criterion for melting applicable to both heat-induced melting and disorder-induced crystalline-to-amorphous (c-a) transformation. The hypothesis stipulates that the sum left-angle μ 2 right-angle Total of the static and dynamic root-mean-square (rms) atomic displacements is a constant fraction of the nearest-neighbor distance along the melting curve of a solid. To test this hypothesis, energy-filtered selected area electron-diffraction intensity measurements were used to determine the generalized Lindemann parameter δ=√ (left-angle μ 2 right-angle Total ) /d nn , in which d nn represents the nearest-neighbor distance, as a function of boron concentration during implantation of 50-keV ampersand hthinsp;B + into polycrystalline Ni at 77 K. The onset of amorphization was found to occur close to 10 at.ampersand hthinsp;% boron, which is in good agreement with the value predicted by T o curve calculated using the generalized Lindemann hypothesis. Moreover, the critical value of the generalized Lindemann parameter for amorphization, δ Critical =0.115±0.01, is within experimental error, identical to that for Ni just below its thermodynamic melting temperature of T=1728 ampersand hthinsp;K, hence providing a direct confirmation for the generalized Lindemann melting hypothesis. copyright 1999 The American Physical Society

Mantle melting and melt refertilization beneath the Southwest Indian Ridge: Mineral composition of abyssal peridotites

Science.gov (United States)

Chen, Ling; Zhu, Jihao; Chu, Fengyou; Dong, Yan-hui; Liu, Jiqiang; Li, Zhenggang; Zhu, Zhimin; Tang, Limei

2017-04-01

As one of the slowest spreading ridges of the global ocean ridge system, the Southwest Indian Ridge (SWIR) is characterized by discontinued magmatism. The 53°E segment between the Gallieni fracture zone (FZ) (52°20'E) and the Gazelle FZ (53°30'E) is a typical amagmatic segment (crustal thickness 1cm) Opx, and Mg-rich mineral compositions akin to harzburgite xenoliths that sample old continental lithospheric mantle (Kelemen et al., 1998). Melt refertilization model shows that Group 2 peridotites were affected by an enriched low-degree partial melt from the garnet stability field. These results indicate that depleted mantle which experiences ancient melting event are more sensitive to melt refertilization, thus may reduce the melt flux, leading to extremely thin crust at 53°E segment. This research was granted by the National Basic Research Programme of China (973 programme) (grant No. 2013CB429705) and the Fundamental Research Funds of Second Institute of Oceanography, State Oceanic Administration (JG1603, SZ1507). References: Johnson K T M, Dick H J B, Shimizu N. Melting in the oceanic upper mantle: An ion microprobe study of diopsides in abyssal peridotites[J]. Journal of Geophysical Research, 1990, 95(B3):2661-2678. Kelemen P B, Hart S R, Bernstein S. Silica enrichment in the continental upper mantle via melt/rock reaction[J]. Earth & Planetary Science Letters, 1998, 164(1-2):387-406. Zhou H, Dick H J. Thin crust as evidence for depleted mantle supporting the Marion Rise.[J]. Nature, 2013, 494(7436):195-200.

Structure and dynamics of a silica melt in neutral confinement

Science.gov (United States)

Geske, Julian; Drossel, Barbara; Vogel, Michael

2017-04-01

We analyze the effects of spatial confinement on viscous silica using molecular dynamics simulations. For this purpose, we prepare a silica melt in a cylindrical pore, which is produced by pinning appropriate fractions of silicon and oxygen atoms in a bulk system after an equilibration period. In this way, the structure of the confined silica melt remains unaffected, while the confinement has a strong impact on the dynamics. We find that the structural relaxation of viscous silica is slowed down according to a double exponential law when approaching the pore wall. Moreover, we observe that static density correlations exist in the vicinity of the pore wall. Based on these effects, we determine dynamical and structural length scales of the silica melt. Both length scales show a similar increase upon cooling, with values on the order of the next-neighbor distances in the studied temperature range. Interestingly, we find no evidence that the growth of the length scales is affected by a fragile-to-strong transition of the silica melt. This observation casts serious doubts on the relevance of these length scales for the structural relaxation, at least for the studied glass former.

Transition Heat Transfer Modeling Based on the Characteristics of Turbulent Spots

Science.gov (United States)

Simon, Fred; Boyle, Robert

1998-01-01

While turbulence models are being developed which show promise for simulating the transition region on a turbine blade or vane, it is believed that the best approach with the greatest potential for practical use is the use of models which incorporate the physics of turbulent spots present in the transition region. This type of modeling results in the prediction of transition region intermittency which when incorporated in turbulence models give a good to excellent prediction of the transition region heat transfer. Some models are presented which show how turbulent spot characteristics and behavior can be employed to predict the effect of pressure gradient and Mach number on the transition region. The models predict the spot formation rate which is needed, in addition to the transition onset location, in the Narasimha concentrated breakdown intermittency equation. A simplified approach is taken for modeling turbulent spot growth and interaction in the transition region which utilizes the turbulent spot variables governing transition length and spot generation rate. The models are expressed in terms of spot spreading angle, dimensionless spot velocity, dimensionless spot area, disturbance frequency and Mach number. The models are used in conjunction with a computer code to predict the effects of pressure gradient and Mach number on the transition region and compared with VKI experimental turbine data.

Economic Growth Models Transition

Directory of Open Access Journals (Sweden)

Coralia Angelescu

2006-03-01

Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

Economic Growth Models Transition

Directory of Open Access Journals (Sweden)

Coralia Angelescu

2006-01-01

Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

Boundary-layer transition prediction using a simplified correlation-based model

Directory of Open Access Journals (Sweden)

Xia Chenchao

2016-02-01

Full Text Available This paper describes a simplified transition model based on the recently developed correlation-based γ-Reθt transition model. The transport equation of transition momentum thickness Reynolds number is eliminated for simplicity, and new transition length function and critical Reynolds number correlation are proposed. The new model is implemented into an in-house computational fluid dynamics (CFD code and validated for low and high-speed flow cases, including the zero pressure flat plate, airfoils, hypersonic flat plate and double wedge. Comparisons between the simulation results and experimental data show that the boundary-layer transition phenomena can be reasonably illustrated by the new model, which gives rise to significant improvements over the fully laminar and fully turbulent results. Moreover, the new model has comparable features of accuracy and applicability when compared with the original γ-Reθt model. In the meantime, the newly proposed model takes only one transport equation of intermittency factor and requires fewer correlations, which simplifies the original model greatly. Further studies, especially on separation-induced transition flows, are required for the improvement of the new model.

High-temperature abnormal behavior of resistivities for Bi-In melts

International Nuclear Information System (INIS)

Xi Yun; Zu Fangqiu; Li Xianfen; Yu Jin; Liu Lanjun; Li Qiang; Chen Zhihao

2004-01-01

The patterns of electrical resistivities versus temperature in large temperature range have been studied, using the D.C. four-probe method, for liquid Bi-In alloys (Bi-In(33 wt%), Bi-In(38 wt%), Bi-In(50.5 wt%), Bi-In(66 wt%)). The clear turning point of each resistivity-temperature curves of the liquid Bi-In alloys is observed at the temperature much above the melting point, in which temperature range the resistivity-temperature coefficient increases rapidly. Except for the turning temperature range, the resistivities of Bi-In alloys increase linearly with temperature. Because resistivity is sensitive to the structure, this experiment shows the structural transition in Bi-In melts at the temperature much higher than the liquidus. And it is suggested that there are different Bi-In short-range orderings in different Bi-In melts, so the resistivity-temperature curves have the turns at different temperatures and the resistivity-temperature coefficients are also different

Geothermal flux and basal melt rate in the Dome C region inferred from radar reflectivity and heat modelling

Science.gov (United States)

Passalacqua, Olivier; Ritz, Catherine; Parrenin, Frédéric; Urbini, Stefano; Frezzotti, Massimo

2017-09-01

Basal melt rate is the most important physical quantity to be evaluated when looking for an old-ice drilling site, and it depends to a great extent on the geothermal flux (GF), which is poorly known under the East Antarctic ice sheet. Given that wet bedrock has higher reflectivity than dry bedrock, the wetness of the ice-bed interface can be assessed using radar echoes from the bedrock. But, since basal conditions depend on heat transfer forced by climate but lagged by the thick ice, the basal ice may currently be frozen whereas in the past it was generally melting. For that reason, the risk of bias between present and past conditions has to be evaluated. The objective of this study is to assess which locations in the Dome C area could have been protected from basal melting at any time in the past, which requires evaluating GF. We used an inverse approach to retrieve GF from radar-inferred distribution of wet and dry beds. A 1-D heat model is run over the last 800 ka to constrain the value of GF by assessing a critical ice thickness, i.e. the minimum ice thickness that would allow the present local distribution of basal melting. A regional map of the GF was then inferred over a 80 km × 130 km area, with a N-S gradient and with values ranging from 48 to 60 mW m-2. The forward model was then emulated by a polynomial function to compute a time-averaged value of the spatially variable basal melt rate over the region. Three main subregions appear to be free of basal melting, two because of a thin overlying ice and one, north of Dome C, because of a low GF.

Multicomponent Diffusion in Experimentally Cooled Melt Inclusions

Science.gov (United States)

Saper, L.; Stolper, E.

2017-12-01

Glassy olivine-hosted melt inclusions are compositionally zoned, characterized by a boundary layer depleted in olivine-compatible components that extends into the melt inclusion from its wall. The boundary layer forms in response to crystallization of olivine and relaxes with time due to diffusive exchange with the interior of the inclusion. At magmatic temperatures, the time scale for homogenization of inclusions is minutes to hours. Preservation of compositional gradients in natural inclusions results from rapid cooling upon eruption. A model of MgO concentration profiles that couples crystal growth and diffusive relaxation of a boundary layer can be used to solve for eruptive cooling rates [1]. Controlled cooling-rate experiments were conducted to test the accuracy of the model. Mauna Loa olivine containing >80 µm melt inclusions were equilibrated at 1225°C in a 1-atm furnace for 24 hours, followed by linear cooling at rates of 102 - 105 °C/hr. High-resolution concentration profiles of 40 inclusions were obtained using an electron microprobe. The model of [1] fits the experimental data with low residuals and the best-fit cooling rates are within 30% of experimental values. The initial temperature of 1225 °C is underestimated by 65°C. The model was modified using (i) MELTS to calculate the interface melt composition as a function of temperature, and (ii) a concentration-dependent MgO diffusion coefficient using the functional form of [2]. With this calibration the best-fit starting temperatures are within 5°C of the experimental values and the best-fit cooling rates are within 20% of experimental rates. The evolution of the CaO profile during cooling is evidence for strong diffusive coupling between melt components. Because CaO is incompatible in olivine, CaO concentrations are expected to be elevated in the boundary layer adjacent to the growing olivine. Although this is observed at short time scales, as the profile evolves the CaO concentration near the

Selective Laser Melting of Pure Copper

Science.gov (United States)

Ikeshoji, Toshi-Taka; Nakamura, Kazuya; Yonehara, Makiko; Imai, Ken; Kyogoku, Hideki

2018-03-01

Appropriate building parameters for selective laser melting of 99.9% pure copper powder were investigated at relatively high laser power of 800 W for hatch pitch in the range from 0.025 mm to 0.12 mm. The highest relative density of the built material was 99.6%, obtained at hatch pitch of 0.10 mm. Building conditions were also studied using transient heat analysis in finite element modeling of the liquidation and solidification of the powder layer. The estimated melt pool length and width were comparable to values obtained by observations using a thermoviewer. The trend for the melt pool width versus the hatch pitch agreed with experimental values.

Building optimal regression tree by ant colony system-genetic algorithm: Application to modeling of melting points

Energy Technology Data Exchange (ETDEWEB)

Hemmateenejad, Bahram, E-mail: hemmatb@sums.ac.ir [Department of Chemistry, Shiraz University, Shiraz (Iran, Islamic Republic of); Medicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, Shiraz (Iran, Islamic Republic of); Shamsipur, Mojtaba [Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of); Zare-Shahabadi, Vali [Young Researchers Club, Mahshahr Branch, Islamic Azad University, Mahshahr (Iran, Islamic Republic of); Akhond, Morteza [Department of Chemistry, Shiraz University, Shiraz (Iran, Islamic Republic of)

2011-10-17

Highlights: {yields} Ant colony systems help to build optimum classification and regression trees. {yields} Using of genetic algorithm operators in ant colony systems resulted in more appropriate models. {yields} Variable selection in each terminal node of the tree gives promising results. {yields} CART-ACS-GA could model the melting point of organic materials with prediction errors lower than previous models. - Abstract: The classification and regression trees (CART) possess the advantage of being able to handle large data sets and yield readily interpretable models. A conventional method of building a regression tree is recursive partitioning, which results in a good but not optimal tree. Ant colony system (ACS), which is a meta-heuristic algorithm and derived from the observation of real ants, can be used to overcome this problem. The purpose of this study was to explore the use of CART and its combination with ACS for modeling of melting points of a large variety of chemical compounds. Genetic algorithm (GA) operators (e.g., cross averring and mutation operators) were combined with ACS algorithm to select the best solution model. In addition, at each terminal node of the resulted tree, variable selection was done by ACS-GA algorithm to build an appropriate partial least squares (PLS) model. To test the ability of the resulted tree, a set of approximately 4173 structures and their melting points were used (3000 compounds as training set and 1173 as validation set). Further, an external test set containing of 277 drugs was used to validate the prediction ability of the tree. Comparison of the results obtained from both trees showed that the tree constructed by ACS-GA algorithm performs better than that produced by recursive partitioning procedure.